2,4-Dichlorobenzylamine

admin — Mon, 29 Apr 2024 07:50:10 +0000

Structural formula

Business number	028H
Molecular formula	C7H7Cl2N
Molecular weight	176.04
label	2,4-Dichlorobenzylamine, 2,4-Dichlorobenzylamine, 2,4-Dichlorobenzenemethanamine, 2,4-Dichlorobenzylamine

Numbering system

CAS number:95-00-1

MDL number:MFCD00008109

EINECS number:202-382-6

RTECS number:None

BRN number:775667

PubChem number:24893974

Physical property data

1. Properties: colorless to yellow transparent liquid.

2. Density (g/mL, 20℃): 1.3

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

4. Melting point (oC): Undetermined

5. Boiling point (oC, normal pressure): 258-260

6. Boiling point (oC, 0.67KPa): 83-84

7. Refractive index: 1.5765-1.5785

8. Flash point (oC): >110

9. Specific rotation (o): Undetermined

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

11. Vapor pressure (mmHg, oC): Undetermined

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

19. Solubility: Undetermined

Toxicological data

None

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 44.49

2. Molar volume (cm³/mol): 133.3

3. Isotonic specific volume (90.2K ): 344.8

4. Surface tension (dyne/cm): 44.7

5. Polarizability (10-24cm3): 17.63

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 108

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 air, carbon dioxide, oxides, and acids.

Storage method

Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep sealed. Keep away from fire sources and store away from oxidants and acidic substances.

Synthesis method