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 5-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
  • 2-[4-(acetylamino)-1H-indol-1-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
  • N-(1-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-1H-indol-4-yl)acetamide
  • Unii-5V51S7839P
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)terephthalaldehyde
  • 2-Chloro-5-((2-(piperidin-4-yl)ethoxy)methyl)pyridine hydrochloride
  • N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-2-((difluoromethyl)sulfonyl)benzamide
  • (3S*,4S*)-1-cyclopentyl-4-cyclopropyl-3-pyrrolidinecarboxylic acid
  • 2-{5-[(4-chlorobenzyl)amino]-2H-tetrazol-2-yl}ethanol
  • 1-tert-Butyl 2-methyl 3-methylpyrrolidine-1,2-dicarboxylate
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