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31409-18-4

31409-18-4 structure
31409-18-4 structure

Name 3-(4-chlorophenyl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole
Synonyms 4-Ethyl-5-<4-chlor-phenyl>-3-methylmercapto-4H-1,2,4-triazol
Density 1.3g/cm3
Boiling Point 420.8ºC at 760mmHg
Molecular Formula C11H12ClN3S
Molecular Weight 253.75100
Flash Point 208.3ºC
Exact Mass 253.04400
PSA 56.01000
LogP 3.34030
Index of Refraction 1.639

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4480000
CHEMICAL NAME :
4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-ethyl-5-(methylthio)-
CAS REGISTRY NUMBER :
31409-18-4
BEILSTEIN REFERENCE NO. :
0659516
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H12-Cl-N3-S
MOLECULAR WEIGHT :
253.77

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 20,1017,1981
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
HS Code 2933990090
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%