116850-68-1

116850-68-1 structure

116850-68-1 structure

Name: 3-(4-methoxyphenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole
Chemical Name: 3-(4-methoxyphenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole
CAS Number: 116850-68-1
Molecular Formula: C₁₁H₁₃N₃O₂S
Molecular Weight: 251.30500
Create Date: 2016-01-29 05:59:58
Modify Date: 2024-02-03 10:50:38

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

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

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