3-ethylsulfinyl-4-methyl-5-phenyl-1,2,4-triazole

Names

[ CAS No. ]:
116850-48-7

[ Name ]:
3-ethylsulfinyl-4-methyl-5-phenyl-1,2,4-triazole

Chemical & Physical Properties

[ Density]:
1.3g/cm3

[ Boiling Point ]:
457.4ºC at 760mmHg

[ Molecular Formula ]:
C11H13N3OS

[ Molecular Weight ]:
235.30500

[ Flash Point ]:
230.4ºC

[ Exact Mass ]:
235.07800

[ PSA ]:
66.99000

[ LogP ]:
2.47530

[ Vapour Pressure ]:
1.5E-08mmHg at 25°C

[ Index of Refraction ]:
1.66

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4915410
CHEMICAL NAME :
4H-1,2,4-Triazole, 3-(ethylsulfinyl)-4-methyl-5-phenyl-
CAS REGISTRY NUMBER :
116850-48-7
LAST UPDATED :
199503
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H13-N3-O-S
MOLECULAR WEIGHT :
235.33

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-methoxy-4-methyl-5-phenyl-1,2,4-triazole
  • 3-ethylsulfonyl-4-methyl-5-phenyl-1,2,4-triazole
  • 3-ethylsulfanyl-4-methyl-5-phenyl-1,2,4-triazole
  • 3-(Chloromethyl)-4-methyl-5-phenyl-4H-1,2,4-triazole hydrochloride (1:1)
  • 3-(4-chlorophenyl)-1-methyl-5-phenyl-1H-1,2,4-triazole
  • 3-(Adamantan-1-yl)-4-methyl-5-phenyl-4H-1,2,4-triazole
  • Tert-butyl 3-amino-3-(pyridin-3-yl)pyrrolidine-1-carboxylate
  • 3-(5-Bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanoic acid
  • 3-(5-Bromo-1,3-thiazol-2-yl)-3-methylbutanoic acid
  • Tert-butyl 3-amino-3-(pyrimidin-5-yl)pyrrolidine-1-carboxylate
  • 2-(1-Bromo-2-methylpropan-2-yl)-1-chloro-4-fluorobenzene
  • Tert-butyl 2-amino-1-methylcyclohexane-1-carboxylate
  • 5-Bromo-2-[methyl(propyl)amino]benzaldehyde
  • 1-[1-(4-bromophenyl)cyclopropyl]-N-methylcyclopropan-1-amine
  • 1-Benzyl-3-(m-tolyl)pyrrolidin-3-amine
  • 1-Benzyl-3-(p-tolyl)pyrrolidin-3-amine