5-phenyl-4h-1,2,4-triazole-3-thiol
Names
[ CAS No. ]:
3414-94-6
[ Name ]:
5-phenyl-4h-1,2,4-triazole-3-thiol
[Synonym ]:
3-phenyl-1H-1,2,4-triazole-5-thiol
3-Phenyl-1,2,4-triazole-5-thiol hydrate
3-phenyl-5-mercapto-4H-1,2,4-triazole
MFCD00051814
3-phenyl-5-mercapto-1,2,4-triazole
3-mercapto-5-phenyl-1,2,4-triazole
5-phenyl-4h-[1,2,4]triazole-3-thiol
5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
5-phenyl-4H-1,2,4-triazol-3-thiol
5-Phenyl-1H-1,2,4-triazole-3-thiol
3-Phenyl-1,2,4-triazole-5-thiol
3-Mercapto-5-phenyl-s-triazole
5-Phenyl-s-triazole-3-thiol
5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
Chemical & Physical Properties
[ Density]:
1.39g/cm3
[ Boiling Point ]:
267.8ºC at 760mmHg
[ Melting Point ]:
254-255°C
[ Molecular Formula ]:
C8H7N3S
[ Molecular Weight ]:
177.22600
[ Flash Point ]:
115.8ºC
[ Exact Mass ]:
177.03600
[ PSA ]:
80.37000
[ LogP ]:
1.76040
[ Index of Refraction ]:
1.731
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XZ5351000
- CHEMICAL NAME :
- 1H-1,2,4-Triazole-3-thiol, 5-phenyl-
- CAS REGISTRY NUMBER :
- 3414-94-6
- LAST UPDATED :
- 199201
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H7-N3-S
- MOLECULAR WEIGHT :
- 177.24
- WISWESSER LINE NOTATION :
- T5MN DNJ CSH ER
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD05 - Lethal Dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 790 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: 9,42,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 38,2595,1990
Safety Information
[ Hazard Codes ]:
Xi: Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26-S36
[ WGK Germany ]:
3
[ RTECS ]:
XZ5351000
[ HS Code ]:
2933990090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933990090
[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%