5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole
Names
[ CAS No. ]:
116850-62-5
[ Name ]:
5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole
Chemical & Physical Properties
[ Density]:
1.38g/cm3
[ Boiling Point ]:
394.8ºC at 760mmHg
[ Molecular Formula ]:
C9H8FN3S
[ Molecular Weight ]:
209.24300
[ Flash Point ]:
192.6ºC
[ Exact Mass ]:
209.04200
[ PSA ]:
66.87000
[ LogP ]:
2.33270
[ Vapour Pressure ]:
1.93E-06mmHg at 25°C
[ Index of Refraction ]:
1.631
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XZ4915800
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-
- CAS REGISTRY NUMBER :
- 116850-62-5
- LAST UPDATED :
- 199503
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H8-F-N3-S
- MOLECULAR WEIGHT :
- 209.26
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 :
- >800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 37,125,1994