3-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile

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Names

[ CAS No. ]:
27328-86-5

[ Name ]:
3-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile

[Synonym ]:
3-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
β-Oxo-3-(trifluoromethyl)benzenepropanenitrile
3-Oxo-3-[​3-(triflu​oromethyl​)phenyl]p​ropionit​rile
NC1VR CXFFF
Benzenepropanenitrile, β-oxo-3-(trifluoromethyl)-
3-Oxo-3-(3-(trifluoromethyl)phenyl)propanenitrile
MFCD00052315
3-(Trifluoromethyl)benzoylacetonitrile

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
280.0±40.0 °C at 760 mmHg

[ Melting Point ]:
60-62°C

[ Molecular Formula ]:
C10H6F3NO

[ Molecular Weight ]:
213.156

[ Flash Point ]:
123.1±27.3 °C

[ Exact Mass ]:
213.040146

[ PSA ]:
40.86000

[ LogP ]:
2.03

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.469

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
3439

[ Packaging Group ]:
III

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methyl 3-(trifluoromethyl)benzoate
  • Acetonitrile
  • Ethyl 3-(trifluoromethyl)benzoate
  • 3-(Trifluoromethyl)benzonitrile
  • POTASSIUM CYANIDE
  • 2-Bromo-1-(3-(trifluoromethyl)phenyl)ethanone

DownStream

  • 3-(3-(TRIFLUOROMETHYL)PHENYL)ISOXAZOL-5-AMINE
  • 5-(3-TRIFLUOROMETHYLPHENYL)-2H-PYRAZOL-3-YLAMINE
  • N-[3-[3-(trifluoromethyl)benzoyl]thieno[2,3-c]pyridin-2-yl]acetamide

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

  • 2-Amino-3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
  • 2-Fluoro-3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
  • 4-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1,2-diphenylpyrazolidine-3,5-dione
  • Methyl 3-(trifluoromethyl)benzoylacetate
  • Benzenepropanoic acid, α-diazo-β-oxo-3-(trifluoromethyl)-, ethyl ester
  • 3-OXO-3-(3-METHYL-5-TRIFLUOROMETHYLPHENYL)-PROPIONITRILE
  • 3-(3-Cyanoazetidin-3-yl)propanoic acid
  • Ethyl 2-[(2-cyanoethyl)amino]-2-methylpropanoate
  • Tert-butyl 3-amino-3-cyclobutylbutanoate
  • Ethyl 3-(4-aminocyclohexyl)butanoate
  • Ethyl 5-(aminomethyl)thieno[3,2-b]thiophene-2-carboxylate
  • Ethyl 2-(aminomethyl)oxolane-2-carboxylate
  • Ethyl 4,4-difluoro-2-methylpyrrolidine-2-carboxylate
  • 1-[(benzyloxy)carbonyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
  • (2S)-4-[3-(dimethylamino)phenyl]butan-2-ol
  • 4-[(1H-indol-3-yl)methyl]pyrrolidin-2-one
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