4-(Trifluoromethyl)benzoylacetonitrile

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Names

[ CAS No. ]:
71682-94-5

[ Name ]:
4-(Trifluoromethyl)benzoylacetonitrile

[Synonym ]:
Benzenepropanenitrile, β-oxo-4-(trifluoromethyl)-
β-Oxo-4-(trifluoromethyl)benzenepropanenitrile
3-oxo-3-<4-trifluoromethylphenyl>propanenitrile
3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
3-Oxo-3-[4-(trifluoromethyl)phenyl]propionitrile
4-trifluoromethylbenzoylacetonitrile
NC1VR DXFFF
4-(Trifluoromethyl)benzoylacetonitrile

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
316.2±42.0 °C at 760 mmHg

[ Melting Point ]:
43-45ºC

[ Molecular Formula ]:
C10H6F3NO

[ Molecular Weight ]:
213.156

[ Flash Point ]:
145.0±27.9 °C

[ Exact Mass ]:
213.040146

[ PSA ]:
40.86000

[ LogP ]:
1.94

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.469

Safety Information

[ Hazard Codes ]:
T: Toxic;

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methyl 4-trifluoromethylbenzoate
  • Acetonitrile
  • 3-amino-3-[4-(trifluoromethyl)phenyl]acrylonitrile
  • 4-(Trifluoromethyl)benzonitrile
  • tert-butyl 2-cyano-3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate
  • 4-(Trifluoromethyl)benzoyl chloride

DownStream

  • 3-(4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOL-5-AMINE

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 4-Trifluoromethyl-2'-fluorobenzenesulfonanilide
  • (4-trifluoromethyl-phenyl)-carbamic acid 1-chloromethyl-2-prop-2-ynyloxy-ethyl ester
  • 4-trifluoromethyl-2-nitrobenzenediazonium Bisulfate
  • 4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
  • [(4-trifluoromethyl)phenyl]methyl methyl carbonate
  • 4-(trifluoromethyl)umbelliferyl oleate