3-(4-methoxyphenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole

Names

[ CAS No. ]:
116850-68-1

[ Name ]:
3-(4-methoxyphenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole

Chemical & Physical Properties

[ Density]:
1.35g/cm3

[ Boiling Point ]:
481.3ºC at 760 mmHg

[ Molecular Formula ]:
C11H13N3O2S

[ Molecular Weight ]:
251.30500

[ Flash Point ]:
244.9ºC

[ Exact Mass ]:
251.07300

[ PSA ]:
76.22000

[ LogP ]:
2.09380

[ Vapour Pressure ]:
2.01E-09mmHg at 25°C

[ Index of Refraction ]:
1.65

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4928550
CHEMICAL NAME :
4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfinyl)-
CAS REGISTRY NUMBER :
116850-68-1
LAST UPDATED :
199503
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H13-N3-O2-S
MOLECULAR WEIGHT :
251.33

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 :
400 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

  • Ethyl [2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]carbamate
  • N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]furan-2-carboxamide
  • 4-fluoro-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzamide
  • Methyl (2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate
  • 4-chloro-N-[2-(thiophen-2-yl)imidazo[1,2-a]pyrimidin-3-yl]benzamide
  • 4-methoxy-N-[2-(thiophen-2-yl)imidazo[1,2-a]pyrimidin-3-yl]benzamide
  • N-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-4-methylbenzamide
  • 2-(naphthalen-1-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide
  • 2-bromo-N-(4-phenyl-1,2,5-oxadiazol-3-yl)benzamide
  • 2-oxo-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2H-chromene-3-carboxamide
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