5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol

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Names

[ CAS No. ]:
114058-91-2

[ Name ]:
5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol

Chemical & Physical Properties

[ Density]:
1.5g/cm3

[ Boiling Point ]:
263.2ºC at 760mmHg

[ Molecular Formula ]:
C8H6FN3S

[ Molecular Weight ]:
195.21700

[ Flash Point ]:
113ºC

[ Exact Mass ]:
195.02700

[ PSA ]:
76.56000

[ LogP ]:
2.27340

[ Vapour Pressure ]:
0.0104mmHg at 25°C

[ Index of Refraction ]:
1.707

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359088
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-fluorophenyl)-
CAS REGISTRY NUMBER :
114058-91-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-F-N3-S
MOLECULAR WEIGHT :
195.23

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: 31,1253,1988

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-(4-FLUOROBENZOYL)HYDRAZINECARBOTHIOAMIDE
  • 4-FLUOROBENZOYL CHLORIDE
  • 4-fluorobenzhydrazide
  • 4-fluorobenzoic acid phenyl ester
  • 4-Fluorobenzoic acid
  • Methyl 4-fluorobenzoate

DownStream

Related Compounds

  • 4-ALLYL-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
  • 4-Ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
  • 4-AMINO-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
  • 4-(4-nitrobenzylideneamino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
  • 4,5-BIS(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
  • 3-(4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylic acid