1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfonyl-1,2,4-triazole

Modify Date: 2023-01-16 11:22:16

1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfonyl-1,2,4-triazole Structure
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfonyl-1,2,4-triazole structure
Common Name 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfonyl-1,2,4-triazole
CAS Number 99793-75-6 Molecular Weight 351.78300
Density 1.46g/cm3 Boiling Point 539.2ºC at 760 mmHg
Molecular Formula C15H11ClFN3O2S Melting Point N/A
MSDS N/A Flash Point 279.9ºC

 Names

Name 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfonyl-1,2,4-triazole

 Chemical & Physical Properties

Density 1.46g/cm3
Boiling Point 539.2ºC at 760 mmHg
Molecular Formula C15H11ClFN3O2S
Molecular Weight 351.78300
Flash Point 279.9ºC
Exact Mass 351.02400
PSA 73.23000
LogP 4.21110
Index of Refraction 1.654

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4500000
CHEMICAL NAME :
1H-1,2,4-Triazole, 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfon yl)-
CAS REGISTRY NUMBER :
99793-75-6
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H11-Cl-F-N3-O2-S
MOLECULAR WEIGHT :
351.80

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
240 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
380 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990