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

  • 3-({1-[2-(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetyl]piperidin-4-yl}methyl)-2-methyl-3,4-dihydroquinazolin-4-one
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 2-(Bromomethyl)-6-fluoro-7-methyl-1H-benzo[d]imidazole
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • Ethyl 1-(4-fluorophenyl)-1,6-dihydro-2-methyl-6-oxo-5-pyrimidinecarboxylate
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde