2,5-diphenyl-1,3,4-oxadiazole
Structural formula
| Business number | 07FN |
|---|---|
| Molecular formula | C14H10N2O |
| Molecular weight | 222.24 |
| label |
2,5-diphenyl-1,3,4-oxadiazole, 2,5-diphenyl-1,3,4-oxadiazole, PPD, 2,5-Bisphenyl-1,3,4-Oxadiazole, Heterocyclic compounds |
Numbering system
CAS number:725-12-2
MDL number:MFCD00003102
EINECS number:211-968-0
RTECS number:RO0802500
BRN number:170385
PubChem number:24893625
Physical property data
1. Characteristics: white solid
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point (ºC):138 -140
5. Boiling point (ºC,13mmHg):231
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flashpoint (ºC.13mmHg):231
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/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: insoluble in water
Toxicological data
Acute toxicity: Mouse oral LD50: 888 mg/kg
Ecological data
Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge material into the surrounding environment without government permission
Molecular structure data
1. Molar refractive index: 63.91
2. Molar volume（m3/ mol）：189.2
3. isotonic ratio（90.2K）：496.2
4. Surface Tension(dyne/cm)：47.2
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7, Polarizability:25.33
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 38.9
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 210
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
Stable under normal temperature and pressure, avoid contact with oxides
Storage method
Keep container tightly sealed Take it out of the container and store it in a cool, dry place
Synthesis method
None yet
Purpose
None yet
