1,2,3-Triphenylguanidine 1,2,3-Triphenylguanidine
Structural formula
| Business number | 02K0 |
|---|---|
| Molecular formula | C19H17N3 |
| Molecular weight | 287.36 |
| label |
triphenylguanidine, N,N’,N”-triphenylguanidine, N,N’,N”-Triphenylguanidine, Triphenylguanidine |
Numbering system
CAS number:101-01-9
MDL number:MFCD00020648
EINECS number:202-907-9
RTECS number:MF6825000
BRN number:None
PubChem ID:None
Physical property data
1. Properties: white prismatic crystalline powder. Tasteless.
2. Density (g/mL, 25℃): 1.16
3. Relative vapor density (g/mL, air=1): 3.2
4. Melting point (ºC): 146-147
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 4.0KPa): Undetermined
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7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg,ºC): Not determined
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) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/ V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol and dilute acid, insoluble in water.
Toxicological data
Acute toxicity: Oral LDLo in rats: 250mg/kg; Intravenous LD50 in mice: 56mg/kg; Oral LDLo in mammals: 350mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 91.62
2. Molar volume (cm3/mol): 267.0
3. Isotonic specific volume (90.2K ): 682.8
4. Surface tension (dyne/cm): 42.7
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 36.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.3
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds�:5
5. Number of tautomers: None
6. Topological molecule polar surface area 36.4
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 313
10. Number of isotope atoms: 0
11. Determine the atoms Number of stereocenters: 0
12. Uncertain number of stereocenters of atoms: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 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. Packaging requires sealing. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
Prepared by adding carbon dioxide to aniline and phosphorus trichloride.
Purpose
Fine chemical raw materials, pharmaceutical intermediates; rubber accelerators.
