5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole

Modify Date: 2024-10-05 17:32:05

5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole structure	Common Name	5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole
	CAS Number	116850-62-5	Molecular Weight	209.24300
	Density	1.38g/cm3	Boiling Point	394.8ºC at 760mmHg
	Molecular Formula	C₉H₈FN₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	192.6ºC

Name	5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole

Density	1.38g/cm3
Boiling Point	394.8ºC at 760mmHg
Molecular Formula	C₉H₈FN₃S
Molecular Weight	209.24300
Flash Point	192.6ºC
Exact Mass	209.04200
PSA	66.87000
LogP	2.33270
Vapour Pressure	1.93E-06mmHg at 25°C
Index of Refraction	1.631

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ4915800

CHEMICAL NAME :: 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-

CAS REGISTRY NUMBER :: 116850-62-5

LAST UPDATED :: 199503

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H8-F-N3-S

MOLECULAR WEIGHT :: 209.26

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 :: >800 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