4-Chloro-1 – BDMAEE

4-Chloro-1,2-difluorobenzene

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	07AR
Molecular formula	C6H3ClF2
Molecular weight	148.54
label	1-Chloro-3,4-difluorobenzene, 1-Chloro-3,4-difluorobenzene, 3,4-Difluorochlorobenzene, aromatic compounds

Numbering system

CAS number:696-02-6

MDL number:MFCD00042572

EINECS number:000-000-0

RTECS number:None

BRN number:2081081

PubChem number:24870515

Physical property data

1. Character: liquid.

2. Density (g/mL,25/4℃): 1.33

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): 126

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

7. Refractive index: 1.475

8. Flashpoint (ºC): 56

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/Logarial value of the partition coefficient of water: undetermined

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

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

19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data

1. Molar refractive index: 31.13

2. Molar volume（m³/ mol）：109.8

3. isotonic ratio（90.2K）：257.3

4. Surface Tension（dyne/cm）：30.1

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability:12.34

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: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 97.1

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

Keep away from oxides.

Storage method

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

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

4-Chloro-1,2-phenylenediamine 4-Chloro-1,2-phenylenediamine

Published by BDMAEE on 2023-12-28 | Permalink

Structural formula

Business number	029Z
Molecular formula	C6H7ClN2
Molecular weight	142.59
label	4-Chloro-1,2-diaminobenzene, 4-Chloro-o-phenylenediamine, p-Chloro-o-phenylenediamine, 4-Chloro-o-phenylenediamine, 1,2-diamino-4-chlorobenzene, 4-Chloro-o-phenylenediamine, 4-Chloro-o-phenylenediamine, 3,4-Diaminochlorobenzene, ClC6H3(NH2)2

Numbering system

CAS number:95-83-0

MDL number:MFCD00011691

EINECS number:202-456-8

RTECS number:SS8850000

BRN number:508472

PubChem number:24846834

Physical property data

1. Properties: Brown powder

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 70-73

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

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation Degree (º): Undetermined

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

11. Vapor pressure (mmHg, ºC): Undetermined

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

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

Molecular structure data

1. Molar refractive index: 39.62

2. Molar volume (cm³/mol): 105.9

3. Isotonic specific volume (90.2K ): 294.8

4. Surface tension (dyne/cm): 59.9

5. Polarizability (10-24cm3): 15.70

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: 2

4. Number of rotatable chemical bonds: 0

5. Tautomerism.�Number: None

6. Topological molecule polar surface area 52

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 97.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. No Determine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

Used in organic synthesis.