4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
Names
[ CAS No. ]:
25812-76-4
[ Name ]:
4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
[Synonym ]:
4-methyl-3-phenyl-5-methylthio-4H-1,2,4-triazole
4-Methyl-5-methylthio-3-phenyl-1,2,4-triazol
3-Phenyl-4-methyl-5-methylmercapto-1,2,4-triazol
Chemical & Physical Properties
[ Density]:
1.21g/cm3
[ Boiling Point ]:
387.9ºC at 760 mmHg
[ Molecular Formula ]:
C10H11N3S
[ Molecular Weight ]:
205.27900
[ Flash Point ]:
188.4ºC
[ Exact Mass ]:
205.06700
[ PSA ]:
56.01000
[ LogP ]:
2.20400
[ Vapour Pressure ]:
3.19E-06mmHg at 25°C
[ Index of Refraction ]:
1.639
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XZ4961200
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
- CAS REGISTRY NUMBER :
- 25812-76-4
- BEILSTEIN REFERENCE NO. :
- 0168782
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H11-N3-S
- MOLECULAR WEIGHT :
- 205.30
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
Safety Information
[ 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%