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2,4-Dichlorobenzoic acid

Published by BDMAEE on 2024-04-25 | Permalink

Structural formula

Business number	0148
Molecular formula	C7H4Cl2O2
Molecular weight	191
label	2,4-Dichlorobenzoic acid, Pesticide intermediates; aliphatic carboxylic acids and their derivatives

Numbering system

CAS number:50-84-0

MDL number:MFCD00002414

EINECS number:200-067-8

RTECS number:DG6650000

BRN number:1868192

PubChem number:24848423

Physical property data

1. Properties: White to light yellow needle-like crystals or powder. Can be sublimated.

2. Density (g/mL, 15℃): Undetermined

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

4. Melting point (ºC): 160

5. Boiling point: no boiling point

6. Refractive index: Undetermined

7. Flash point (ºC ): Undetermined

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

9. Specific rotation (º): Undetermined

10. Vapor pressure (kPa, 25ºC): Not determined

11. Saturation vapor pressure (kPa, 60ºC): Not determined

12. Heat of combustion (KJ/mol): Not determined Determined

13. Critical temperature (ºC): Undetermined

14. Critical pressure (KPa): Undetermined

15. Oil and water (octanol/water ) Log value of distribution coefficient: Undetermined

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

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

18. Solubility: Soluble in ethanol, ether, benzene, chloroform and acetone, insoluble in water and heptane.

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 1200mg/kg; mouse oral LD50: 830mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.97

2. Molar volume (cm³/mol): 125.8

3. Isotonic specific volume (90.2K ): 341.1

4. Surface tension (dyne/cm): 53.9

5. Polarizability (10-24cm3): 17.03

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 bondsNumber of structural centers: 0

15. Number of covalent bond units: 1

Properties and stability

This product is toxic and is more toxic than benzoic acid. Mice were injected subcutaneously with LD501200mg/kg. See benzoic acid.
　

Storage method

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

This product is generally used as an intermediate and is not sold as a commodity. It should be stored in a cool, ventilated and dry place.

Synthesis method

Purpose

Intermediates used in the production of dyes, pesticides (fungicides), pharmaceuticals and other products. The pesticide industry is used in the production of the fungicides zebra and the herbicides benzofen and pyrazote. In the pharmaceutical industry, it is used to manufacture the antimalarial drug adipine hydrochloride, the non-mercury diuretic furosemide (abdominal acid), etc.

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.

2,4-dinitro-1-fluorobenzene

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	01G3
Molecular formula	C6H3FN2O4
Molecular weight	186.1
label	2,4-dinitrofluorobenzene, Sanger reagent, 1-Fluoro-2,4-dinitrobenzene, dinitrofluorobenzene, 1-Fluoro-2-4-dinitrobenzene, 1,3-Dinitro-4-fluorobenzene, Senger’s Reagent, FNDP, Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:70-34-8

MDL number:MFCD00007056

EINECS number:200-734-3

RTECS number:CZ7800000

BRN number:398632

PubChem ID:None

Physical property data

1. Properties: Yellow needle-like crystals, which turn into orange-yellow liquid after liquefaction. ^[1]

2. Melting point (℃): 27.5~30^[2]

3. Boiling point (℃) : 178 (3.33kPa); 296^[3]

4. Relative density (water = 1): 1.48^[4]

5. Saturated vapor pressure (kPa): 0.32×10^-3 (25℃)^[5]

6. Octanol/ Water partition coefficient: 1.83^[6]

7. Flash point (℃): >110 (CC)^[7]

8. Solubility: Soluble in ether, benzene, hot ethanol, and propylene glycol. ^[8]

Toxicological data

1. Acute toxicity:

Oral LCLo in mice: 50 mg/kg; LCLo administered onto the skin in mice: 100 mg/kg; LCLo injected subcutaneously in mice: 100 mg/kg;

2. Mutagenicity:

Salmonella microbial changes testing system: 5 ug/plate; Salmonella microbial changes testing system: 33 ug/plate; Bacteria-Escherichia coli microbiological changes test system: 5 umol/L;

3. Acute toxicity^[9] LD50 : 50mg/kg (rat oral)

4. Irritation No information available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradable^[10] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm3, the degradation half-life is 420d (theoretical).

4. Other harmful effects^[11] This substance is harmful to the environment. Special attention should be paid to the pollution of water bodies. .

Molecular structure data

1. Molar refractive index: 39.33

2. Molar volume (cm³/mol): 117.3

3. Isotonic specific volume (90.2K ): 325.3

4. Surface tension (dyne/cm): 59.1

5. Polarizability (10-24cm3): 15.59

Scheduling��Chemical Data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 91.6

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 224

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. Stability^[12] Stable

2. Incompatible substances^[13] Strong oxidants, strong bases

3. Conditions to avoid contact^[14] Heating

4. Polymerization hazard^[15] No polymerization

5. Decomposition products^[16] Nitrogen oxidation substance, hydrogen fluoride

Storage method

Storage Precautions^[17]Storage in a cool, well-ventilated special warehouse, and implement the “two people to send and receive, two people to keep” system. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. Obtained from nucleophilic substitution reaction using 2,4-dinitrochlorobenzene and anhydrous potassium fluoride as raw materials.

2.Mix anhydrous potassium fluoride, dimethyl sulfoxide and an appropriate amount of polymerization inhibitor, control the heating to 120°C, and then add 2,4-dinitrochlorobenzene [reactants The ratio is 2,4-dinitrochlorobenzene: anhydrous potassium fluoride: dimethyl sulfoxide: polymerization inhibitor = 1.0: 1.8: 3.4: 0.1 (molar ratio)]. Maintain the reaction temperature at 110~120℃ (strictly control the reaction temperature to prevent explosion), react for 3 hours:

After the reaction, quickly cool to room temperature. Remove the potassium fluoride residue by suction filtration, add water to the filtrate and wash it, let it stand and separate the water layer (dimethyl sulfoxide can be recovered), wash the oil layer twice with water, distill under reduced pressure at 2.73kPa, collect 176~180℃ The distillate is the finished product 2,4-dinitrofluorobenzene.

Purpose

1. Used as a chromogenic reagent for the photometric determination of organic amines and neomycin. It is also used for the preparation of fluoride ion selective electrodes and the automatic flow injection dynamic potential method for the determination of paracetamol, isoniazid and phenoxypropylamine. Used as a chromatographic derivatization reagent for the determination of primary amines, secondary amines, alcohols, phenols, thiols, imidazole and carbonyl compounds.

2. Used as a reagent for protein analysis and a reducing agent for the determination of phenol, morphine, amino acids, aldehydes, and oximes. ^[18]

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2,3-Dichlorobenzoic acid

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	013P
Molecular formula	C7H4Cl2O2
Molecular weight	191.01
label	Cl2C6H3CO2H

Numbering system

CAS number:50-45-3

MDL number:MFCD00002413

EINECS number:200-039-5

RTECS number:DG6475000

BRN number:1946217

PubChem number:24853491

Physical property data

1. Character: white crystal

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

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

4. Melting point (ºC): 168.3 °C (lit.)

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

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

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: Slightly soluble in water

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 900mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.97

2. Molar volume (cm³/mol): 125.8

3. Isotonic specific volume (90.2K ): 341.1

4. Surface tension (dyne/cm): 53.9

5. Polarizability (10-24cm3): 17.03

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.7

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:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 161

10. Number of isotope atoms: 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13.��The number of definite chemical bond stereocenters: 0

14. The number of uncertain chemical bond stereocenters: 0

15. The 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.

Synthesis method

Use 2,3-dichloroaniline through diazotization and Malvais reaction to obtain 2,3-dichlorobenzaldehyde, and then oxidize it with potassium permanganate to obtain 2,3-dichlorobenzoic acid. Total yield 45%

Purpose

2,3-Dichlorobenzoic acid is an important intermediate in the synthesis of the specific anti-epileptic drug lamotrigine and other drugs for the treatment of central nervous disorders

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2,4,6-Trichlorobenzoic acid

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	013N
Molecular formula	C7H3O2Cl3
Molecular weight	225.46
label	Trysben(TM), Cl3C6H2CO2H

Numbering system

CAS number:50-43-1

MDL number:MFCD00060699

EINECS number:None

RTECS number:DH8050000

BRN number:1874127

PubChem number:24861240

Physical property data

1. Character: white crystal

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

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

4. Melting point (ºC): 160-164 °C (lit.)

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

p>

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

p>

9. Specific optical 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. Oil-water (octanol/water) distribution coefficient Log value: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 1200mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 47.86

2. Molar volume (cm³/mol): 137.8

3. Isotonic specific volume (90.2K ): 377.0

4. Surface tension (dyne/cm): 56.0

5. Polarizability (10-24cm3): 18.97

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: 12

8. Surface charge: 0

9. Complexity: 174

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 sealed and stored in a dry place away from light.

Synthesis method

1-Alkylcarbonyl-2,4,6-trichlorobenzene is prepared by Fuckers acylation of 1,3,5-trichlorobenzene; the 1-alkylcarbonyl-2,4,6 -The oxidation reaction of trichlorobenzene produces 2,4,6-trichlorobenzoate; and the acidification reaction of the produced 2,4,6-trichlorobenzoate produces 2,4,6- Trichlorobenzoic acid.

Purpose

Used in the synthesis of medicines, insecticides, and fungicides

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2,6-Dichlorobenzoic acid

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	013G
Molecular formula	C7H4Cl2O2
Molecular weight	191.01
label	2,6-Dichlorobenzoic acid, 2,6-Dichlorobenzoic acid, Cl2C6H3CO2H

Numbering system

CAS number:50-30-6

MDL number:MFCD00002418

EINECS number:200-025-9

RTECS number:DG7000000

BRN number:973858

PubChem number:24893961

Physical property data

1. Properties: White to slightly yellow powder or needle-like crystals

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

3. Relative steam Density (g/mL, air=1): Undetermined

4. Melting point (ºC): 144°C (lit.)

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

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

7. Refractive index: Undetermined

8. Flash point (ºC) : Undetermined

9. Specific optical rotation (º): Undetermined

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

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

12. Saturation vapor pressure (kPa, 60 ºC): Not determined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/ Log value of the distribution coefficient (water): Undetermined

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

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

19. Solubility: Soluble in ethanol, ether, acetone, fluoroform. Water solubility 0.1-1 g/100 mL at 19 ºC

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 1500mg/kg; mouse abdominal LD50: 316mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.97

2. Molar volume (cm³/mol): 125.8

3. Isotonic specific volume (90.2K ): 341.1

4. Surface tension (dyne/cm): 53.9

5. Polarizability (10-24cm3): 17.03

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.2

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:

6. Topological molecular polar surface area (TPSA): 37.3

7、 Number of heavy atoms: 11

8, Surface charge: 0

9, Complexity: 151

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 sealed and stored in a dry place away from light.

Synthesis method

None

Purpose

Synthetic medicines and pesticides.

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2,3,4,5,6-pentafluorobenzyl alcohol

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04U0
Molecular formula	C7H3F5O
Molecular weight	198
label	None yet

Numbering system

CAS number:440-60-8

MDL number:MFCD00004602

EINECS number:207-126-7

RTECS number:DP0695000

BRN number:2052669

PubChem number:24851790

Physical property data

一 , physical property data

Traits ：White solid

Density (g/mL,25/4℃): Not available

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): 37-38

Boiling point (ºC, normal pressure): 114-115

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): 87

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:32.67

2、 Molar volume（m³/mol)：124.2

3、 Isotonic specific volume (90.2K):296.4

4、 Surface tension（dyne/cm)：32.3

5、 Polarizability(10^-24cm³）：12.95

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 162

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 yet

Storage method

None yet

Synthesis method

The preparation method is 2,3,4,5,6-pentafluorobenzoic acid on a Zn electrode in 5% H₂ The product is obtained by fluidized bed electrolysis in SO₄ solution.

Purpose

Intermediates for pharmaceuticals, pesticides, and liquid crystal materials.

Resource:allhdi.com

2,6-Difluoroanisole

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TX
Molecular formula	C7H6F2O
Molecular weight	144.12
label	2,6-Difluoroanisole, 2,6-Difluoroanisole, 97+%, 2,6-DIFLUOROANISOLE, 2,6-Difluoroanisole, 97+%, 2,6-Difluoroanisole 98%, 2,6-Difluoroanisole98%, 2,6-DIFLUOROANISOLE: 98.5%

Numbering system

CAS number:437-82-1

MDL number:MFCD00142846

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.221

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 70

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): 61

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

2. Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:32.91

2、 Molar volume（m³/mol)：121.8

3、 Isotonic specific volume (90.2K): 278.1

4、 Surface tension（dyne/cm)：27.1

5、 Polarizability(10^-24cm³）：13.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: None

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 97.8

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

p>

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2,6-Difluorobenzaldehyde

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TW
Molecular formula	C7H4F2O
Molecular weight	142.10
label	2,6-Difluorobenzaldehyde, 2,6-Difluorobenzaldehyde, 97%, 3,4,5-Trifluorobenzonitrile, 2,6-DIFLUOROBENZALDEHYDE, TIMTEC-BB SBB006685, 2,6-Difluorobenzaldehyde,97%, 3,4,5-triflurobenzenenitrile, 2,6-Difluorobenzaldehyde 98%, 2,6-Difluorobenzaldehyde98%, 2,6-DIFLUORLOBENZALDEHYDE, 2-6-Difluorbenzaldehyd

Numbering system

CAS number:437-81-0

MDL number:MFCD00010293

EINECS number:000-000-0

RTECS number:None

BRN number:1935273

PubChem number:24856057

Physical property data

一 , physical property data

Traits ：Yellow liquid

Density (g/mL,25/4℃): 1.317

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): 15-17

Boiling point (ºC, normal pressure):82-84

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.506-1.509

Flash Point (ºC): 73

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:32.99

2、 Molar volume（m³/mol)：109.5

3, Isotonic specific volume (90.2K): 266.5

4、 Surface tension（dyne/cm)：35.1

5、 Polarizability(10^-24cm³）：13.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. RotatableNumber of converted chemical bonds: 1

5. Number of tautomers: None

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 117

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

Intermediates for pharmaceuticals, pesticides, and liquid crystal materials.

Resource:allhdi.com

2,4,6-Tribromoanisole

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	069Z
Molecular formula	C7H5Br3O
Molecular weight	344.83
label	2,4,6-Tribromo-1-methoxybenzene, 2,4,6-Tribromo-1-methoxybenzene, Br3C6H2OCH3

Numbering system

CAS number:607-99-8

MDL number:MFCD00192510

EINECS number:None

RTECS number:None

BRN number:2210361

PubChem number:24864766

Physical property data

1. Physical property data

Boiling point: 297℃
Melting point: 87-89℃

Toxicological data

None yet

Ecological data

3. Ecological data:

1, other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1, Molar refractive index:56.00

2, Molar volume (m³/mol):161.9

3, Isotonic specific volume (90.2K ):415.4

4, Surface tension (dyne/cm):43.2

5、 Polarizability (10^-24cm³): 22.2

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 119

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

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com