3 – BDMAEE

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

3,5-Bis(trichloromethyl)benzoic acid

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	07FP
Molecular formula	C9H4F6O2
Molecular weight	258.12
label	3,5-Bistrifluoromethylbenzoic acid, 3,5-bis(trifluoromethyl)benzoic acid, 3,5-Di(Trifluoromethyl)Benzoic Acid, Bis(3,5-Trifluoromethyl)Benzoic Acid, (CF3)2C6H3CO2H, aromatic compounds

Numbering system

CAS number:725-89-3

MDL number:MFCD00000388

EINECS number:211-970-1

RTECS number:DG4448020

BRN number:2058600

PubChem number:24853936

Physical property data

1. Characteristics: white fibrous solid

2. Density (g/mL,25/4℃):1.42

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

4. Melting point (ºC):140 -144

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

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

7. Refractive index: undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

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

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

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 partition coefficient (water): undetermined

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

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

Acute toxicity: miceceliacLD50：100mg/ kg

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index: 43.14

2. Molar volume（ m³/mol )：168.9

3. isotonic ratio（90.2K）：383.8

4. Surface Tension(dyne/cm)：26.6

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³）：

7. Polarizability: 17.10

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP）：3.8

2. Hydrogen Bonding Number of donors: 1

3. Hydrogen Bonding Number of receptors: 8

4. Rotatable Number of chemical bonds: 1

5. Topological molecular polarity Surface area (TPSA): 37.3

6. Heavy atoms Quantity: 17

7. Surface charge ：0

8. Complexity ：273

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of stereocenters:0

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

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2,5-diphenyl-1,3,4-oxadiazole

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	07FN
Molecular formula	C14H10N2O
Molecular weight	222.24
label	2,5-diphenyl-1,3,4-oxadiazole, 2,5-diphenyl-1,3,4-oxadiazole, PPD, 2,5-Bisphenyl-1,3,4-Oxadiazole, Heterocyclic compounds

Numbering system

CAS number:725-12-2

MDL number:MFCD00003102

EINECS number:211-968-0

RTECS number:RO0802500

BRN number:170385

PubChem number:24893625

Physical property data

1. Characteristics: white solid

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC):138 -140

5. Boiling point (ºC,13mmHg):231

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

7. Refractive index: undetermined

8. Flashpoint (ºC.13mmHg):231

9. Specific optical rotation (º): Undetermined

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

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

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

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 partition coefficient (water): undetermined

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

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: insoluble in water

Toxicological data

Acute toxicity: Mouse oral LD50: 888 mg/kg

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index: 63.91

2. Molar volume（m³/ mol）：189.2

3. isotonic ratio（90.2K）：496.2

4. Surface Tension(dyne/cm)：47.2

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7, Polarizability:25.33

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 38.9

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 210

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

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

3,3′-Dimethyldiphenylamine

Published by BDMAEE on 2024-04-03 | Permalink

Structural formula

Business number	06SX
Molecular formula	C14H15N
Molecular weight	197.28
label	p,p’-Ditolylamine

Numbering system

CAS number:626-13-1

MDL number:MFCD00059315

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: viscous liquid

2. Density (g/mL, 25/4℃): 1.04

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

4. Melting point (ºC): 200

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

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Ratio Optical rotation (º): Undetermined

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

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

p>

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

Toxicological data

None yet

Ecological data

Do not allow large quantities of products that are slightly harmful to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 65.27

2. Molar volume (cm³/mol): 188.0

3. Isotonic specific volume (90.2K ): 475.9

4. Surface tension (dyne/cm): 41.0

5. Polarizability (10^-24cm³): 25.87

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 170

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. UncertaintyNumber of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

1,3,9-Tetramethylxanthine

Published by BDMAEE on 2024-04-03 | Permalink

Structural formula

Business number	05CE
Molecular formula	C8H10N4O2
Molecular weight	194.19
label	2,6-Dihydroxy-1,3,9-trimethylpurine, Isocaffeine

Numbering system

CAS number:519-32-4

MDL number:MFCD00022834

EINECS number:208-267-7

RTECS number:None

BRN number:196140

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ cm³,25/4): Undetermined

3. Relative vapor density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC):288-290

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

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive index: Undetermined

8. Flash Point (ºF): Undetermined

9. Specific optical rotation (º): Undetermined

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

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

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

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Water ) Logarithmic value of partition coefficient: undetermined

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

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Undetermined

Toxicological data

None yet

Ecological data

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

Molecular structure data

1. Molar refractive index: 50.38

2. Molar volume (m³/mol):133.3

3. isotonic specific volume (90.2K):364.5

4. Surface Tension (dyne/cm):55.7

5. Polarizability（10^-24cm³):19.97

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 58.4

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 293

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry, well-ventilated warehouse . Keep away from fire and heat sources. Prevent direct sunlight. Pack tightly. Store separately from acids and edible chemicals, and avoid mixed storage. Suitable materials should be provided in the storage area to contain leaks.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2,2,3,3-Tetrafluorosuccinamide

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	04KV
Molecular formula	C4H4F4N2O2
Molecular weight	188.08
label	Tetrafluorosuccinimide, 2,2,3,3-Tetrafluoro-succinamide, aliphatic compounds

Numbering system

CAS number:377-37-7

MDL number:None

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℃): Not available

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

Melting point (ºC): 259

Boiling point (ºC, normal pressure): Not available

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): Not available

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 , toxicologyData:

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: 28.29

2. Molar volume (m³/mol）：118.0

3. isotonic specific volume (90.2K):287.7

4. Surface Tension (dyne/cm):35.2

5. Polarizability（10^-24cm³ ): 11.21

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

p>

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecule polar surface area 86.2

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 203

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

None

Synthesis method

None

Purpose

None

Resource:allhdi.com

2,2,3,3,4,4-hexafluoro-1,5-pentanediol

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	04KU
Molecular formula	C5H6F6O2
Molecular weight	212.09
label	2,2,3,3,4,4-hexafluoro-5-pentanediol, 2,2,3,3,4,4-hexafluoro-5-pentanediol, HOCH2(CF2)3CH2OH, aliphatic compounds

Numbering system

CAS number:376-90-9

MDL number:MFCD00042434

EINECS number:206-819-1

RTECS number:SA0750000

BRN number:1766258

PubChem number:24895828

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): Not available

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

Melting point (ºC): 78-81

Boiling point (ºC, normal pressure): 115

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): >110

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 , Toxicology 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: 29.16

2. Molar volume (m³/mol）：138.9

3. isotonic specific volume (90.2K):306.8

4. Surface Tension (dyne/cm):23.8

5. Polarizability（10^-24cm ³):11.56

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: 8

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 40.5

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

Storage method

None

Synthesis method

None

Purpose

Used for resin modification

Resource:allhdi.com

3,4,5,6-Tetrabromo-o-cresol

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	05V7
Molecular formula	C7H4Br4O
Molecular weight	423.72
label	2,3,4,5-Tetrabromo-6-methyl-pheno, aromatic compounds

Numbering system

CAS number:576-55-6

MDL number:MFCD00002148

EINECS number:209-403-8

RTECS number:GP3135000

BRN number:None

PubChem number:24856732

Physical property data

1. Physical property data

1. Melting point (ºC): 209-213

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index:63.72

2. Molar volume (m³/mol）：168.8

3. isotonic specific volume (90.2K):461.9

4. Surface Tension (dyne/cm):55.9

5. Polarizability（10^-24cm³):25.26

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 166

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

None

Synthesis method

None

Purpose

None

Resource:allhdi.com

1,2,3,4-Tetramethylbenzene

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	053N
Molecular formula	C10H14
Molecular weight	134.22
label	None yet

Numbering system

CAS number:488-23-3

MDL number:MFCD00008521

EINECS number:202-465-7

RTECS number:DC0465000

BRN number:1904390

PubChem ID:None

Physical property data

1. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -5900.61

2. Density (g/ m³,25/4℃): 0.838

3. Relative vapor density (g/cm³, air=1): 4.6

4. Melting point (ºC): 76-80

5. Boiling point (ºC, normal pressure): 203

6. Gas phase standard claims heat (enthalpy) (kJ·mol^-1): -35.31

7. Refractive index: 1.5190

8. Flash point (ºF): 165

9. Gas phase standard entropy ( J·mol^-1·K^-1): 421.6

10. Gas phase standard free energy of formation (kJ·mol^-1): 128.61

11. Vapor pressure (kPa, 25ºC): 160

12. Vapor phase standard hot melt (J·mol^-1 ·K^-1): 186.1

13. Heat of combustion (KJ/mol): 49.7

14. Liquid phase standard heat of combustion (enthalpy) ( kJ·mol^-1): -5845.72

15. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -90.21

16. Log value of oil-water (octanol/water) partition coefficient: 1.34

17. Liquid phase standard entropy (J·mol^-1· K^-1): 290.58

18. Liquid phase standard free energy of formation (kJ·mol^-1): 112.77

19. Solubility: Slightly soluble in water

20. Liquid phase standard hot melt (J·mol^-1·K^-1): 238.32

Toxicological data

1. Skin/eye irritation data: Standard Draize test rabbit direct contact with skin: 100 mg/24 HREACTION SEVERITY: Mild

2. Acute toxicity: Rat oral LD50: 6408mg/kg, feeling Organs and special senses (eyes) – tears, lungs, chest or breathing – difficulty breathing, blood – cerebral hemorrhage;

Ecological data

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

Molecular structure data

1. Molar refractive index: 45.55

2. Molar volume (cm³/mol): 154.5

3. Isotonic specific volume (90.2K ): 357.8

4. Surface tension (dyne/cm): 28.7

5. Polarizability (10^-24cm³): 18.05

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 0

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 92.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the stereocenter of chemical bonds Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Seal and store in a ventilated, dry environment

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol

Published by BDMAEE on 2024-03-29 | Permalink

Structural formula

Business number	07FG
Molecular formula	C9H7F6NO
Molecular weight	259.15
label	2-(4-Aminobenzene)-1,1,1,3,3,3-hexafluoro-2-propanol, 4-(Hexafluoro-2-hydroxyisopropyl)aniline, 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol, 4-(Hexafluoro-2-hydroxyisopropyl)aniline, 4-(2-Hydroxyhexafluoroisopropyl)aniline, aromatic compounds

Numbering system

CAS number:722-92-9

MDL number:MFCD00039258

EINECS number:None

RTECS number:None

BRN number:1473737

PubChem ID:None

Physical property data

1. Character: Crystal

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC):147 -152

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

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

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

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

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

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 partition coefficient (water): undetermined

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

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index: 46.69

2. Molar volume（m³/ mol）：172.1

3. isotonic ratio（90.2K）：405.3

4. Surface Tension(dyne/cm)：30.7

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7, Polarizability:18.51

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: 8

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 252

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

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com