2-(Trifluoromethyl)benzoylacetonitrile

Modify Date: 2025-08-25 11:42:19

2-(Trifluoromethyl)benzoylacetonitrile Structure
2-(Trifluoromethyl)benzoylacetonitrile structure
Common Name 2-(Trifluoromethyl)benzoylacetonitrile
CAS Number 40018-10-8 Molecular Weight 213.15600
Density 1.296g/cm3 Boiling Point 308.9ºC at 760 mmHg
Molecular Formula C10H6F3NO Melting Point N/A
MSDS N/A Flash Point 140.6ºC

 Names

Name 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.296g/cm3
Boiling Point 308.9ºC at 760 mmHg
Molecular Formula C10H6F3NO
Molecular Weight 213.15600
Flash Point 140.6ºC
Exact Mass 213.04000
PSA 40.86000
LogP 2.80178
Index of Refraction 1.469
InChIKey ULZOOHHGJMAKCY-UHFFFAOYSA-N
SMILES N#CCC(=O)c1ccccc1C(F)(F)F

 Safety Information

HS Code 2926909090

 Synthetic Route

~%

2-(Trifluoromethyl)benzoylacetonitrile Structure

2-(Trifluoromet...

CAS#:40018-10-8

Literature: NOVARTIS AG Patent: WO2008/62026 A1, 2008 ; Location in patent: Page/Page column 31 ; WO 2008/062026 A1

~90%

2-(Trifluoromethyl)benzoylacetonitrile Structure

2-(Trifluoromet...

CAS#:40018-10-8

Literature: Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602

~%

2-(Trifluoromethyl)benzoylacetonitrile Structure

2-(Trifluoromet...

CAS#:40018-10-8

Literature: Binder; Hromatka; Noe; Hillebrand; Veit; Blum Archiv der Pharmazie, 1980 , vol. 313, # 7 p. 587 - 602

 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

o-trifluoromethylphenacylcyanide
3-oxo-3-(2-(trifluoromethyl)phenyl)propanenitrile
o-Trifluormethylphenacylcyanid
2-TRIFLUOROMETHYLBENZOYLACETONITRILE
3-oxo-3-(2-trifluoromethylphenyl)propionitrile
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