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
  • N-((5-(furan-2-yl)isoxazol-3-yl)methyl)-5-phenyloxazole-2-carboxamide
  • N-((5-(furan-2-yl)isoxazol-3-yl)methyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
  • 2-(3,5-dimethylisoxazol-4-yl)-N-((5-(furan-2-yl)isoxazol-3-yl)methyl)acetamide
  • N-((5-(furan-2-yl)isoxazol-3-yl)methyl)picolinamide
  • N-((5-(furan-2-yl)isoxazol-3-yl)methyl)cyclobutanecarboxamide
  • N-((5-(benzofuran-2-yl)isoxazol-3-yl)methyl)-3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
  • N-((5-(benzofuran-2-yl)isoxazol-3-yl)methyl)-5-oxopyrrolidine-2-carboxamide
  • N-((5-(benzofuran-2-yl)isoxazol-3-yl)methyl)-2,5-dimethylfuran-3-carboxamide
  • N-((5-(benzofuran-2-yl)isoxazol-3-yl)methyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
  • N-((5-(benzofuran-2-yl)isoxazol-3-yl)methyl)benzo[d]thiazole-2-carboxamide
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