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
  • 4-Chloro-3-(difluoromethyl)-6-methoxypyridin-2-ol
  • 3H-1,2,3-Triazolo[4,5-c]pyridine-6-carboxylic acid
  • 5-(Thian-3-yl)-1,3-oxazol-2-amine
  • 5-(Oxan-2-yl)-1,3-thiazol-2-amine
  • 3-(Thian-3-yl)-1,2-oxazol-5-amine
  • 5-Methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
  • (3S,4S)-3-(Piperidin-1-yl)piperidin-4-ol
  • 3-Amino-3-(1-methylpiperidin-4-yl)cyclobutan-1-ol
  • 3,3-Dimethyl-1-(3-(methylamino)piperidin-1-yl)butan-1-one hydrochloride
  • 3-Amino-4,4,4-trifluoro-2,2-dimethylbutanoic acid
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