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

Names

[ CAS No. ]:
99793-75-6

[ 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

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-(3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl)-2-(m-tolyl)ethanone
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • N9,N9,N10,N10-Tetrakis(4-(tert-butyl)phenyl)anthracene-9,10-diamine
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine