3-(4-Chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole

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Names

[ CAS No. ]:
31409-18-4

[ Name ]:
3-(4-Chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole

[Synonym ]:
4-Ethyl-5-<4-chlor-phenyl>-3-methylmercapto-4H-1,2,4-triazol

Chemical & Physical Properties

[ 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

Toxicological Information

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

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

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%

Related Compounds

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  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide