4-(Trifluoromethyl)benzoylacetonitrile

Modify Date: 2024-01-10 20:59:56

4-(Trifluoromethyl)benzoylacetonitrile Structure
4-(Trifluoromethyl)benzoylacetonitrile structure
Common Name 4-(Trifluoromethyl)benzoylacetonitrile
CAS Number 71682-94-5 Molecular Weight 213.156
Density 1.3±0.1 g/cm3 Boiling Point 316.2±42.0 °C at 760 mmHg
Molecular Formula C10H6F3NO Melting Point 43-45ºC
MSDS N/A Flash Point 145.0±27.9 °C

 Names

Name 3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
Synonym More Synonyms

 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

~15%

4-(Trifluoromethyl)benzoylacetonitrile Structure

4-(Trifluoromet...

CAS#:71682-94-5

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2004/785 A2, 2003 ; Location in patent: Page 25 ; WO 2004/000785 A2

~78%

4-(Trifluoromethyl)benzoylacetonitrile Structure

4-(Trifluoromet...

CAS#:71682-94-5

Literature: Barhdadi, Rachid; Gal, Jacques; Heintz, Monique; Troupel, Michel Journal of the Chemical Society, Chemical Communications, 1992 , # 1 p. 50 - 51

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4-(Trifluoromethyl)benzoylacetonitrile Structure

4-(Trifluoromet...

CAS#:71682-94-5

Literature: Journal of Medicinal Chemistry, , vol. 22, # 11 p. 1385 - 1389

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4-(Trifluoromethyl)benzoylacetonitrile Structure

4-(Trifluoromet...

CAS#:71682-94-5

Literature: Journal of Medicinal Chemistry, , vol. 22, # 11 p. 1385 - 1389

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4-(Trifluoromethyl)benzoylacetonitrile Structure

4-(Trifluoromet...

CAS#:71682-94-5

Literature: Synthesis, , # 3 p. 337 - 341

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4-(Trifluoromethyl)benzoylacetonitrile Structure

4-(Trifluoromet...

CAS#:71682-94-5

Literature: Synthesis, , # 3 p. 337 - 341

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4-(Trifluoromethyl)benzoylacetonitrile Structure

4-(Trifluoromet...

CAS#:71682-94-5

Literature: Journal of Medicinal Chemistry, , vol. 34, # 11 p. 3295 - 3301

 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%

 Synonyms

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