3-ethylsulfonyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole

Names

[ CAS No. ]:
116850-66-9

[ Name ]:
3-ethylsulfonyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole

Chemical & Physical Properties

[ Density]:
1.38g/cm3

[ Boiling Point ]:
458.1ºC at 760 mmHg

[ Molecular Formula ]:
C11H12FN3O2S

[ Molecular Weight ]:
269.29500

[ Flash Point ]:
230.8ºC

[ Exact Mass ]:
269.06300

[ PSA ]:
73.23000

[ LogP ]:
2.49560

[ Vapour Pressure ]:
1.42E-08mmHg at 25°C

[ Index of Refraction ]:
1.61

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4915420
CHEMICAL NAME :
4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-
CAS REGISTRY NUMBER :
116850-66-9
LAST UPDATED :
199503
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-F-N3-O2-S
MOLECULAR WEIGHT :
269.32

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

Related Compounds

  • (9H-fluoren-9-yl)methyl N-[(2-fluoro-4-hydroxyphenyl)methyl]carbamate
  • (9H-fluoren-9-yl)methyl 2-[2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carboxylate
  • tert-butyl N-[2-(chlorosulfonyl)-5-methoxyphenyl]carbamate
  • (9H-fluoren-9-yl)methyl N-(3,3-dimethylbutyl)-N-(2-hydroxypropyl)carbamate
  • (9H-fluoren-9-yl)methyl 4-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}piperidine-1-carboxylate
  • (9H-fluoren-9-yl)methyl N-[2-(3-hydroxy-1H-pyrazol-4-yl)ethyl]carbamate
  • (9H-fluoren-9-yl)methyl N-[2-(4-hydroxy-1,3-dioxaindan-5-yl)ethyl]carbamate
  • (9H-fluoren-9-yl)methyl N-(2-hydroxy-4-methoxybutyl)carbamate
  • (9H-fluoren-9-yl)methyl (2S,4S)-2-(hydroxymethyl)-4-(methoxymethyl)pyrrolidine-1-carboxylate
  • tert-butyl N-[5-bromo-2-(2-hydroxypropyl)phenyl]carbamate
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