Dibenzylamine Dibenzylamine
Structural formula
| Business number | 02NP |
|---|---|
| Molecular formula | C14H15N |
| Molecular weight | 197.28 |
| label |
None |
Numbering system
CAS number:103-49-1
MDL number:MFCD00004770
EINECS number:203-117-7
RTECS number:None
BRN number:909664
PubChem number:24893752
Physical property data
1. Properties: colorless to yellow oily liquid
2. Density (g/mL, 20℃): 1.0256
3. Relative vapor density (g/mL , air=1): Undetermined
4. Melting point (ºC): -26
5. Boiling point (ºC, normal pressure): 300
6 . Boiling point (ºC, 33.3KPa): 270
7. Refractive index: 1.5743
8. Flash point (ºC): 143
9. Specific rotation Degree (º): Undetermined
10. Autoignition point or ignition temperature (ºC): 425
11. Vapor pressure (mmHg, 20ºC): 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: Easily soluble in Alcohols and ethers are almost insoluble in water.
Toxicological data
1. Acute toxicity: Rat oral LD5O: 395mg/kg
Rabbit transdermal LD5O: >2000mg/kg
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 63.88
2. Molar volume (cm3/mol): 191.7
3. Isotonic specific volume (90.2K ): 483.9
4. Surface tension (dyne/cm): 40.5
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 25.32
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: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 12
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 137
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 oxidants, acidic substances, acidic chlorides, and acid anhydrides.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acidic substances, acidic chlorides and acid anhydrides, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
It is obtained by reacting benzyl chloride and liquid ammonia in ethanol.
Purpose
Organic synthesis intermediate, can be used to synthesize penicillin and rubber; curing agent for plastic curing, mainly used to produce efficient and non-toxic vulcanization accelerator tetrabenzylthiuram disulfide (TBZTD) and zinc dibenzyldithiocarbamate (ZBEC).
