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-(3-Methyl-1-propyl-1H-pyrazol-4-yl)propiolic acid
1-Iodooctatriacontane
3-(1-Isopropyl-5-methyl-1H-pyrazol-4-yl)propiolic acid
1-methyl-3-(1-methyl-1H-pyrazol-5-yl)-1H-pyrazol-4-amine
3-(1-Isopropyl-3-methyl-1H-pyrazol-4-yl)propiolic acid
1-(butan-2-yl)-5-(difluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid
3-(3-Cyclopropyl-1-ethyl-1H-pyrazol-4-yl)propiolic acid
1-Butyl-5-(difluoromethyl)-1h-1,2,3-triazole-4-carboxylic acid
3-(5-Cyclopropyl-1-ethyl-1H-pyrazol-4-yl)propiolic acid
5-(difluoromethyl)-2H-1,2,3-triazole-4-carboxylic acid

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