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
None
Purpose
Organic reagents, pharmaceutical intermediates
