4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole

Names

[ CAS No. ]:
141079-14-3

[ Name ]:
4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole

[Synonym ]:
4H-1,2,4-Triazole,4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)
4-(3-Chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole

Chemical & Physical Properties

[ Density]:
1.33g/cm3

[ Boiling Point ]:
568ºC at 760 mmHg

[ Molecular Formula ]:
C21H14ClF2N3O

[ Molecular Weight ]:
397.80500

[ Flash Point ]:
297.3ºC

[ Exact Mass ]:
397.07900

[ PSA ]:
39.94000

[ LogP ]:
5.44490

[ Vapour Pressure ]:
6.41E-13mmHg at 25°C

[ Index of Refraction ]:
1.621

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4391000
CHEMICAL NAME :
4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phe noxymethyl)-
CAS REGISTRY NUMBER :
141079-14-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H14-Cl-F2-N3-O
MOLECULAR WEIGHT :
397.83

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 31,289,1992

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 2-ethyl-1-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]butanoyl}pyrrolidine-2-carboxylic acid
  • 7-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
  • 4-{1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]-N-methylformamido}butanoic acid
  • 2-[2-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-(2-methylpropyl)propanamido]acetic acid
  • 1-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]acetyl}-3-methylpyrrolidine-3-carboxylic acid
  • 3-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(methylsulfanyl)butanamido]oxolane-3-carboxylic acid
  • 2-{1-benzyl-4-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanamido]piperidin-4-yl}acetic acid
  • 3-{2-[1-benzyl-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)piperidin-4-yl]-N-methylacetamido}-2-methylpropanoic acid
  • 4-ethyl-1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]piperidine-4-carboxylic acid
  • 2-{3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methoxypropanamido]phenyl}acetic acid
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