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

  • [3-(5-Fluoropyridin-3-yl)-2,2-dimethylcyclopropyl]methanamine
  • [2-(5-Fluoropyridin-3-yl)cyclopropyl]methanamine
  • [1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]methanamine
  • 8-(Ethanesulfonyl)-1-oxa-8-azaspiro[4.5]decan-4-amine
  • 1,2-Dimethyl-3-(2-methylbut-3-yn-2-yl)benzene
  • 1-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropane-1-carboxylic acid
  • 1-[1-(3-Fluoropyridin-2-yl)cyclopropyl]ethan-1-amine
  • 2-[1-(4-methyl-1H-imidazol-5-yl)cyclopropyl]ethan-1-amine
  • O-(1-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}ethyl)hydroxylamine
  • 1-{3-Oxabicyclo[3.1.0]hexan-6-yl}piperidin-4-ol
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