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2-amino-6-ethoxybenzothiazole

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	027P
Molecular formula	C9H10N2OS
Molecular weight	194.25
label	2-amino-6-ethoxybenzothiazole, 6-Ethoxy-2-benzothiazolamine, 2-Amino-6-ethoxybenzothiazole

Numbering system

CAS number:94-45-1

MDL number:MFCD00005788

EINECS number:202-333-9

RTECS number:None

BRN number:None

PubChem number:24890970

Physical property data

1. Properties: powder

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1) : Undetermined

4. Melting point (ºC): 160-163

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point ( ºC, 8mmHg): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 25ºC): Not determined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 56.11

2. Molar volume (cm³/mol): 149.0

3. Isotonic specific volume (90.2K ): 410.7

4. Surface tension (dyne/cm): 57.6

5. Polarizability (10-24cm3): 22.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 76.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 179

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

None

2,5-Dichlorobenzoic acid

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	0146
Molecular formula	C7H4Cl2O2
Molecular weight	191
label	2,5-Dichlorobenzoic acid, Pesticides in Chinese (Simplified Chinese); Aliphatic carboxylic acids and their derivatives

Numbering system

CAS number:50-79-3

MDL number:MFCD00002416

EINECS number:200-065-7

RTECS number:DG6825000

BRN number:973353

PubChem number:24848693

Physical property data

1. Properties: White needle-like crystalline powder. Partially volatilized in steam.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 154.4°C (lit.)

5. Boiling point (ºC, normal pressure): 301 °C (lit.)

6 . Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): 300-302°C

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC ): Undetermined

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol and ether, soluble in hot water (<0.1 g/100 mL at 19 ºC).

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 1200mg/kg; mouse intraperitoneal LD50: 237mg/kg 2. Mutagenicity: mutation testing system – not other specifiedTEST systems: bacteria – Salmonella typhimurium: 1mg/L

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 161

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain chemical bond stereocenterAmount: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place away from light. Storage and transportation according to regulations on toxic chemicals.

Synthesis method

1. Phosgene method: 2,5-dichlorobenzoyl chloride is obtained by reacting p-dichlorobenzene and phosgene, and then hydrolyzed.

2. The chloromethylation method is obtained by reacting p-dichlorobenzene with paraformaldehyde and then oxidizing it with potassium permanganate. The yield of chloromethylation of p-dichlorobenzene was 53.4%, and the yield of the third step oxidation reaction was 83%

3. The trichlorobenzene method uses 1,2,4-trichlorobenzene as raw material to prepare 2,5-dichlorobenzonitrile and then undergoes alkaline hydrolysis.

4. Benzoyl chloride method is obtained by chlorination and hydrolysis of benzoyl chloride. The chlorination temperature of benzoyl chloride is controlled between 35-45°C. The main component of the chloride obtained is 2,5-dichlorobenzoyl chloride (content 65%). Then, in the presence of concentrated sulfuric acid, it is chlorinated at 40-45°C. Hydrolyzed at 50℃.

5. Dichlorobenzene carbon tetrachloride method.

Purpose

As an intermediate in organic synthesis. It is used to synthesize the herbicides legumin and dicaoping. This pesticide has less harmful effects and is not affected by rainy weather.

p,p’-Didi Didi

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	01H3
Molecular formula	C14H10Cl4
Molecular weight	320.04
label	4,4-Didi Didi, 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane, 2,2-Bis(4-chlorophenyl)-1,1-dichloroethane, 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane, p,p’-TDE, 2,2-Bis(4-chlorophenyl)-1,1-dichloroethane, Organochlorine pesticides

Numbering system

CAS number:72-54-8

MDL number:MFCD00000851

EINECS number:200-783-0

RTECS number:KI0700000

BRN number:1914072

PubChem number:24891742

Physical property data

1. Character: white crystal

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air =1): Uncertain

4. Melting point (ºC): 94-96

5. Boiling point (ºC, normal pressure): Uncertain

6 . Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): 11

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical Temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

15. p>

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Dissolution Properties: Soluble in ethanol and carbon tetrachloride

Toxicological data

Acute toxicity: Rat oral LD50: 113 mg/kg; Mouse oral LDLo: 600 mg/kg; Rabbit Administration onto the skin LD50: 1200 mg/kg; Hamster oral LD50: >5 mg/kg; tumorigenic : Rat oral TDLo: 54 gm/kg/78W-C; Mouse oral TDLo: 39 gm/kg/2Y-C;

Mutagenicity: Mouse embryo morphological transformation test system: 28400 nmol/L; Mouse Serratia marcescens host-mediated test system: 1500 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 79.65

2. Molar refractive index: 79.65

2.Volume (cm³/mol): 233.1

3. Isotonic volume (90.2K): 465.2

4. Surface tension (dyne/cm) : 44.6

5. Polarizability (10-24cm3): 31.57

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 218

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in a sealed, cool, dry and dark place.

Synthesis method

Prepared from o-bromochlorobenzene.

Purpose

Anti-neoplastic drugs used to treat adrenocortical cancer.

Rubiacin

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	01H2
Molecular formula	C14H8O4
Molecular weight	240.21
label	1,2-dihydroxy-9,10-anthracenedione, 1,2-Hydroxyanthraquinone, Alizarin, 1,2-dihydroxy, 1,2-dihydroxyricinone, 1,2-Dihydroxyanthraquinone, 1,2-Dihydroxy-9,10-anthracenedione, Mordant Red 11, Pigment red 83, Anti-inflammatory

Numbering system

CAS number:72-48-0

MDL number:MFCD00001201

EINECS number:200-782-5

RTECS number:CB6580000

BRN number:1914037

PubChem number:24845856

Physical property data

1. Properties: orange-red crystal or ocher yellow powder

2. Density (g/mL, 20/4℃): 1.06

3. Relative vapor density (g /mL, air=1): Uncertain

4. Melting point (ºC): 289.5

5. Boiling point (ºC, normal pressure): 430^SU

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): 430 (subl.)

9. Specific optical rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturation vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol) : Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil and water (octanol /water) distribution coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V) : Uncertain

19. Solubility: Easily soluble in hot methanol and ether at 25°C. Soluble in benzene, glacial acetic acid, pyridine, carbon disulfide, slightly soluble in water

Toxicological data

Acute toxicity: oral LD50 of wild birds: 316 mg/kg; mutagenicity: Salmonella Mutation in microorganismsTEST SYSTEM: 100 ug/plate; Bacillus subtilis DNA repairTEST SYSTEM: 2 mg/disc; Rat liver Unscheduled DNA synthesisTEST SYSTEM: 10 mg /L; Salmonella Mutation in microorganismsTEST SYSTEM: 100 ug/plate;

Ecological data

None

Molecular structure data

1. Molar refractive index: 62.43

2. Molar volume (cm³/mol): 155.9

3. Isotonic specific volume (90.2K ): 465.2

4. Surface tension (dyne/cm): 79.2

5. Polarizability (10-24cm3): 24.74

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 16

6. Topological molecule polar surface area 74.6

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 378

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stable properties under normal temperature and pressure.

2. It is irritating. When using, avoid inhaling the dust of this product and avoid contact with eyes and skin.

Storage method

1. Seal and store.

Synthesis method

1. In nature, alizarin is found in the roots of madder. Melt anthraquinone-2-sulfonic acid with caustic soda and potassium chlorate or potassium nitrate, then pour the melt into hot water, and then use hydrochloric acid to precipitate alizarin: 9g potassium chlorate, 30g anthraquinone-2-sulfonate Dissolve sodium acid and 110g of sodium hydroxide in 110ml of water, and heat and react 25g in an autoclave at 170°C. After cooling, the reaction product was extracted with water several times, 150 ml each time. The water extract was filtered, and the filtrate was acidified with hydrochloric acid. After cooling, the precipitated precipitate is suction-filtered, washed, and dried to obtain about 20g of alizarin.

Purpose

1. Acid-base indicator. Used as drip reagent for aluminum, indium, mercury, zinc and zirconium. Stain for in vivo staining of nervous tissue and protozoa.

2.Rubicin has an inhibitory effect on the growth of Staphylococcus aureus and can inhibit the permeability of rat skin connective tissue. It is similar to rutin. Similar, may have anti-inflammatory effects. It can be safely used as cosmetic coloring and lipstick coloring without any side effects. Combined with some phenolic hydroxyl groups and aniline derivatives, it can be used as a non-irritating oxidative hair dye additive to make the color soft and lasting.

Methoxychlorine

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	01H1
Molecular formula	C16H15Cl3O2
Molecular weight	345.65
label	1,1,1-Trichloro-2,2-bis-p-methoxyphenylethane, 1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane, methoxychlor, Marlate,Metox, 1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane, 2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane, DMDT, Organochlorine pesticides

Numbering system

CAS number:72-43-5

MDL number:MFCD00000803

EINECS number:200-779-9

RTECS number:KJ3675000

BRN number:2057367

PubChem number:24896655

Physical property data

1. Properties: The original drug is white or creamy yellow block or flake solid

2. Density (g/mL, 25/4℃): 1.41

3 . Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 86-88 (pure product), industrial product is about 77℃

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): 11

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain Confirm

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13 . Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion Lower limit (%, V/V): Uncertain

19. Solubility: Easily soluble in benzene, xylene and other organic solvents, soluble in ethanol and petroleum, insoluble in water (0.1mg /L)

Toxicological data

Acute oral administration in ratsLD50 > 10000mg/kg (6000mg/kg), acute oral administration in rats SkinLD50 >10000mg/kg. The no-effect dose in rats was 500 mg/kg for 30 days, and the no-effect dose in the 2-year feeding test was 200 mg/kg. The no-effect dose in the 1-year feeding test for dogs was 300 mg/kg. Animal tests showed no teratogenic, carcinogenic, or mutagenic effects. MallardLD50 >2000mg /kg > Crane and quail > 5000mg /kg > Pheasant > 5000mg /kg. Rainbow cicadaLC50 is 45μg/L (24h), bee LDS . It is 165.5μg/piece.

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 18.5

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 279

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Mildly irritating to rabbit skin and eyes.

Storage method

Store in a cool, ventilated and dry place, and do not mix with food, feed, beverages and other items.

Synthesis method

Prepared from the condensation of anisole and trichloroacetaldehyde.

Methoxychlor is produced by condensing anisole and trichloroacetaldehyde in the presence of fuming sulfuric acid or aluminum trichloride.

Purpose

1. An organochlorine pesticide. This product is a non-systemic contact and stomach poisoning insecticide with slight aphidicide or acaricidal activity. Its biological activity range is roughly the same as that of DDT. Because it has little or no tendency to accumulate in body fat or be secreted into milk, it is recommended for fly control in dairies and dairy cows. This product can also be used to prevent and control household sanitary pests, animal ectoparasites, vegetable and fruit tree pests, replacing DDT. The maximum allowable residual amount is: 2 mg/kg for grain, 14 mg/kg for fruit trees, and 100 mg/kg for feed. The ban period before harvest is 7 to 21 days. For example, when using 25% EC to control poplar loopers and aphid weevils in poplar and jujube trees, spray at 625 to 1250 mg/L.

2.Organochlorine pesticides. It has contact and stomach poisoning effects, no systemic effect, wide insecticidal spectrum, low toxicity to humans and animals, no cumulative effect in the organism, and is easily decomposed by multifunctional oxidase and converted into water-soluble non-toxic excreta. It can be used for field crops, fruit trees, vegetables and other crops to control corn borers, bridge-building insects, bean beetles, pea weevils, fruit tree borers, codling moths, Japanese beetles, small weevils, canopy caterpillars, and fruitFlies, leafhoppers, stink bugs, vegetable leaf flea beetles, diamondback moths, cucumbers, seed flies and other pests. It can also be used to control ectoparasites and sanitary pests in livestock.

ethinylestradiol methyl ether

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	01GZ
Molecular formula	C21H26O2
Molecular weight	310.44
label	Ethinyl Estradiol Methyl Ether, mestranol, 17α-Ethynylestradiol 3-methyl ether, 3-Methoxy-17α-ethynylestradiol, 17α-Ethynyl-1,3,5(10)-estratriene-3, 17β-diol 3-methyl ether

Numbering system

CAS number:72-33-3

MDL number:MFCD00003689

EINECS number:200-777-8

RTECS number:RC8960000

BRN number:2625905

PubChem ID:None

Physical property data

1. Properties: Uncertain

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air =1): Uncertain

4. Melting point (ºC): 153-155 (lit.)

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific optical rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient : Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Uncertain

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 91.10

2. Molar volume (cm³/mol): 269.4

3. Isotonic specific volume (90.2K ): 715.8

4. Surface tension (dyne/cm): 49.8

5. Polarizability (10-24cm3): 36.11

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 29.5

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 519

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 5

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in a sealed, cool, dry and dark place.

Synthesis method

None

Purpose

Mainly used for ovarian insufficiency, amenorrhea, functional uterine bleeding, menopausal syndrome, etc.

Endrin

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	01GY
Molecular formula	C12H8Cl6O
Molecular weight	380.91
label	1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-epoxy-1,4-epoxy-5 ,8-dimethylenenaphthalene, Endrex, Endricol, Mendrin, Oktanex, 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-exo-1,4-exo-5,8- dimethano naphthalene, Organochlorine pesticides

Numbering system

CAS number:72-20-8

MDL number:MFCD00151158

EINECS number:200-775-7

RTECS number:IO1575000

BRN number:None

PubChem number:24862694

Physical property data

1. Properties: White crystal, a stereoisomer of dieldrin.

2. Density (g/mL, 25/4℃): 1.65

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 245 (decomposition)

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): 11

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): 0.266×10^-7

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: insoluble in water, hardly soluble in alcohol and petroleum hydrocarbons, soluble in benzene, propylene and xylene

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 77.48

2. Molar volume (cm³/mol): 205.9

3. Isotonic specific volume (90.2K ): 573.8

4. Surface tension (dyne/cm): 60.2

5. Polarizability (10-24cm3): 30.71

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

p>

5. Topological molecular polar surface area (TPSA): 12.5

6. Number of heavy atoms: 19

7. Surface charge: 0

8. Complexity: 516

9. Number of isotope atoms: 0

10. Number of determined atomic stereocenters: 8

11. Uncertain atoms Number of stereocenters: 0

12. Determined number of stereocenters of chemical bonds: 0

13. Uncertain number of stereocenters of chemical bonds: 0

14. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in a sealed, cool, dry place.

Synthesis method

None

Purpose

For carcinogenesis and toxicity studies. Pesticides. Organic Synthesis.

L-threonine

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	01GX
Molecular formula	C4H9NO3
Molecular weight	119.12
label	L-Hydroxybutyrate, (2S,3R)-2-amino-3-hydroxybutyric acid, L-α-amino-β-hydroxybutyric acid, L-isoerythora amino acid, (2S,3R)-2-Amino-3-hydroxybutyric acid, a-Amino-β-hydroxybutyric acid, nutritional additives, intermediates, Biochemical reagents

Numbering system

CAS number:72-19-5

MDL number:MFCD00064270

EINECS number:200-774-1

RTECS number:XO8590000

BRN number:1721646

PubChem number:24900544

Physical property data

1. Properties: white crystal or crystalline powder, containing 1/2 crystal water. Odorless, slightly sweet taste. 2. Density (g/mL, 25/4℃): 1.307

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 256 (dec.)(lit.)

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: -28 ° (C=6, H2O)

8. Flash point (ºC): Uncertain

9. Specific rotation (º) : -28.4 º (c=6, H2O)

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14 . Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19 . Solubility: Easily soluble in water (200g/L, 25℃), insoluble in methanol, ethanol, ether and chloroform.

Toxicological data

Acute toxicity: rat abdominal LD50: 3098 mg/kg;

Mutagenicity: human lymphocyte Sister chromatid exchangeTEST SYSTEM: 10 mg/L;

Ecological data

None

Molecular structure data

1. Molar refractive index: 27.13

2. Molar volume (cm³/mol): 91.1

3. Isotonic specific volume (90.2K ): 253.6

4. Surface tension (dyne/cm): 60.0

5. Polarizability (10-24cm3): 10.75

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -2.9

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

p>

4. Number of rotatable chemical bonds: 2

5. Topological molecular polar surface area (TPSA): 83.6

6. Number of heavy atoms: 8

7. Surface charge: 0

8. Complexity: 93.3

9. Number of isotope atoms: 0

10. Determine the atomic stereocenter Number: 2

11. Number of uncertain atomic stereocenters: 0

12. Number of determined chemical bond stereocenters: 0

13. Uncertain chemical bonds Number of stereocenters: 0

14, Number of covalent bond units: 1

Properties and stability

1. Stable under normal temperature and pressure.

2. Exist in flue-cured tobacco leaves, burley tobacco leaves and smoke.

Storage method

Tightly packaged in brown wide-mouth glass bottles. Store in a cool, dry place away from light.

Synthesis method

1. It is produced by fermenting sugar, ammonia and homoserine with glutamic acid-producing Pediococcus, Brevibacterium, Corynebacterium, etc., and then refining it. The concentration in the fermentation broth can reach 5-20g/L.

2.Prepared from crotonic acid or glycine as raw material. Glucose or starch can also be used as raw materials, and the product can be obtained through fermentation and refining using Escherichia coli, Brevibacterium flavum, Bacillus glutamicum or Corynebacterium craniodonta as strains.

3.L-The industrial production methods of threonine mainly include: ① synthesis method; ② fermentation method; ③ protein hydrolysis method Three types. Fermentation production is now advocated.
The fermentation method uses sugar, ammonia, and homoserine (homoserine) as the culture medium, and is fermented with glutamic acid-producing Pediococcus (glutaminus) and refined to produce L-threonine.

4.Extraction method

5.The injection preparation method is as follows

6. Tobacco: BU, 22; FC, 21; Synthesis: It can be obtained by hydrolysis and purification of proteins (such as casein), or synthesized from methanol and mercury acetate in acrylic acid derivatives.

Purpose

1. Mainly used as nutritional supplement. When heated with glucose, it easily generates caramel and chocolate aromas, and has a flavor-enhancing effect. Can also be used for biochemical research.

2.As a feed nutritional fortifier, threonine is an essential amino acid. Threonine is often added to the feed of immature piglets and poultry, and is the second limiting amino acid in pig feed and the third limiting amino acid in poultry feed. Added to feeds based on wheat, barley and other grains.

3.Nutritional additives, also used to prepare amino acid infusions and comprehensive amino acid preparations.

4.For the auxiliary treatment of peptic ulcer. It can also treat anemia and cardiovascular system diseases such as angina pectoris, aortitis, and cardiac insufficiency.

cobalt acetate

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	01GK
Molecular formula	C4H6CoO4
Molecular weight	177.02
label	Cobaltous oxalate, Cobaltous oxalate, cobalt acetate, Cobalt acetate tetrahydrate, Cobaltousdiacetate, catalyst, Desiccant for paints and coatings, printing and dyeing mordant, FRP curing accelerator, Hidden ink

Numbering system

CAS number:71-48-7

MDL number:MFCD00008689

EINECS number:200-755-8

RTECS number:AG3150000

BRN number:None

PubChem number:24864856

Physical property data

1. Properties: purple-red crystals that are easily deliquescent. Slightly acetic acid smell, easy to deliquesce

2. Density (g/mL, 25/4℃): 1.7043

3. Relative vapor density (g/mL, air=1) : Uncertain

4. Melting point (ºC): 290

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation ( º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC) : Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Dissolved in Water, acid and ethanol, insoluble in acetone and benzene,

Toxicological data

Acute toxicity: Rat oral LD50: 503 mg/kg; Mouse intravenous LD50: 31 mg/kg; Rabbit intravenous LD50: 25 mg/kg;

Mutagenicity: Morphological transformation of hamster embryos Test system: 200 umol/L;

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 80.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 25.5

p>

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 3

Properties and stability

1. Loss of crystal water above 140°C. Easily soluble in water and ethanol, the solubility in 100g ethanol at 15°C is 1.49g. Soluble in acetic acid and pyridine, insoluble in acetic anhydride, insoluble in acetone and benzene. Toxic and carcinogen. Should be kept closed.

2.Harmful to the body if inhaled or ingested. Inhalation can cause pharyngitis, followed by gastrointestinal irritation symptoms, such as vomiting, abdominal cramps, increased body temperature, and calf weakness. Skin contact can cause allergic dermatitis and contact dermatitis.

Storage method

1. This product should be sealed and stored in a cool, dry and dark place. Store in a cool, dry place away from sunlight and rain.

2.Should be stored separately from moist items, edible chemical raw materials, etc.

Synthesis method

(1) Metal cobalt or cobalt oxide method First, metal cobalt or cobalt oxide reacts with nitric acid or sulfuric acid to produce cobalt nitrate or cobalt sulfate, and then reacts with sodium carbonate or ammonium bicarbonate to generate cobalt carbonate, and then adds acetic acid. Reaction, the reaction product is evaporated, concentrated, crystallized and dried to obtain the finished product.

Each ton of product consumes 265kg of metallic cobalt (>99%), 1,000kg of acetic acid (industrial product), 1,200kg of sodium carbonate (industrial product), and 1,100kg of nitric acid (industrial product).

(2) Cobalt sulfate method will Cobalt sulfate reacts with soda ash by heating to generate cobalt carbonate, which is then reacted with acetic acid. The reaction product is filtered, concentrated, crystallized, dehydrated and packaged to obtain the product.

3. Take 5g of nitric acid hexahydrate Add cobalt to 25 mL of acetic anhydride, mix evenly, heat and boil for 10 minutes, and allow crystals to precipitate after standing. Filter with suction and wash with a small amount of acetic anhydride and diethyl ether. Drain. Dry under vacuum at 100°C for 1 hour.

Purpose

1. Catalyst for xylene oxidation, used in the production of desiccants for coatings, mordants for printing and dyeing, FRP curing accelerators and hidden inks, etc. 2. Used as a catalyst for transesterification reaction, the dosage in the production of polyester resin is about 001% to 005%. This product is mainly used as an oxidation catalyst for organic synthesis (such as a catalyst for producing terephthalic acid, the basic raw material of polyester resin, from the oxidation of paraxylene). It is also used to prepare desiccants for paints and coatings, mordants for printing and dyeing, FRP curing accelerators and visible inks. 3.It is used in the dyeing and sealing treatment of oxide films. In the sealing solution of aluminum and alloy anodization, appropriate cobalt salt can also be added to improve its sealing performance. . It can also be used as an additive for zinc plating and the addition of cobalt salts for electroplating cobalt alloys, electroless cobalt plating and alloys.

Spermine

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	01GJ
Molecular formula	C10H26N4
Molecular weight	202.34
label	spermine, semen, N,N’-Bis(3-aminopropyl)-1,4-butanediamine, Gerontine, Musculamine

Numbering system

CAS number:71-44-3

MDL number:MFCD00008215

EINECS number:200-754-2

RTECS number:EJ7175000

BRN number:1750791

PubChem number:24899550

Physical property data

1. Properties: yellow or light yellow oily liquid

2. Density (g/mL, 25/4℃): 0.925

3. Relative vapor density (g/ mL, air=1): Uncertain

4. Melting point (ºC): 28~30

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5mmHg): 150 (666.5pa)

7. Refractive index: Uncertain

8. Flash point (ºC): >110

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) partition coefficient relationship Value: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: H₂O: 1 M at 20 °C, clear, colorless

Toxicological data

Acute toxicity: Rat intraperitoneal LD50: 33 mg/kg; Rat intravenous LD50: 65 mg/kg; Mouse oral LD30: 650 mg/kg; Mouse intraperitoneal LDLo: 8 mg/kg; Mouse subcutaneous injection LD30: 280 mg/kg; mouse intravenous LD50: 56 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 62.63

2. Molar volume (cm³/mol): 218.5

3. Isotonic specific volume (90.2K ): 543.9

4. Surface tension (dyne/cm): 38.3

5. Polarizability (10-24cm3): 24.83

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1.1

2. Hydrogen bondingNumber of donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 11

5. Topological molecule polar surface area (TPSA): 76.1

6. Number of heavy atoms: 14

7. Surface charge: 0

8. Complexity: 86.1

9. Number of isotope atoms: 0

10. Number of determined atomic stereocenters: 0

11. Number of uncertain atomic stereocenters: 0

12. Determined number of stereocenters of chemical bonds: 0

13. Uncertain number of stereocenters of chemical bonds: 0

14. Number of covalent bond units: 1

Properties and stability

1. Found in tobacco leaves.

Storage method

Storage temperature 4ºC

Synthesis method

None

Purpose

1. Organophosphorus pesticide intermediates.