3,5-Diphenyl-4H-1,2,4-triazole
Names
[ CAS No. ]:
2039-06-7
[ Name ]:
3,5-Diphenyl-4H-1,2,4-triazole
[Synonym ]:
3,5-Diphenyl-4H-1,2,4-triazole
1H-1,2,4-TRIAZOLE,3,5-DIPHENYL
3,5-diphenyl-s-triazole
2,5-Diphenyl-1H-1,2,4-triazol
3,5-Diphenyl-1,2,4-triazol
s-Triazole,3,5-diphenyl
3,5-Diphenyl-1,2,4-triazole
3,5-Diphenyl-1H-1,2,4-triazol
Chemical & Physical Properties
[ Density]:
1.197g/cm3
[ Boiling Point ]:
440ºC at 760 mmHg
[ Molecular Formula ]:
C14H11N3
[ Molecular Weight ]:
221.25700
[ Flash Point ]:
206.8ºC
[ Exact Mass ]:
221.09500
[ PSA ]:
41.57000
[ LogP ]:
3.13870
[ Vapour Pressure ]:
6.1E-08mmHg at 25°C
[ Index of Refraction ]:
1.633
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XZ4803000
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 3,5-diphenyl-
- CAS REGISTRY NUMBER :
- 2039-06-7
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C14-H11-N3
- MOLECULAR WEIGHT :
- 221.28
- WISWESSER LINE NOTATION :
- T5NN DNJ CR& ER
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 50,597,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 50,597,1961 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 30 mg/kg
- SEX/DURATION :
- female 4-8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,1187,1983