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181772-16-7

181772-16-7 Structure

181772-16-7 Structure
IdentificationBack Directory
[Name]

3,5-BIS(TRIFLUOROMETHYL)HYDROCINNAMIC ACID
[CAS]

181772-16-7
[Synonyms]

3,5-BIS(TRIFLUOROMETHYL)HYDROCINNAMIC ACID
3-(3,5-Ditrifluoromethylphenyl)propionic acid
3,5-Bis(trifluoromethyl)benzenepropanoic acid
3,5-Bis(trifluoromethyl)hydrocinnamic acid 97%
Benzenepropanoic acid, 3,5-bis(trifluoromethyl)-
3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROPIONIC ACID
3-[3,5-Bis(trifluoromethyl)phenyl]propanoic acid
[Molecular Formula]

C11H8F6O2
[MDL Number]

MFCD00674033
[MOL File]

181772-16-7.mol
[Molecular Weight]

286.17
Chemical PropertiesBack Directory
[Melting point ]

68-73 °C(lit.)
[Boiling point ]

247℃
[density ]

1.427
[Fp ]

103℃
[form ]

solid
[pka]

4.45±0.10(Predicted)
[InChI]

1S/C11H8F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h3-5H,1-2H2,(H,18,19)
[InChIKey]

LISLXJGPJUAEHU-UHFFFAOYSA-N
[SMILES]

OC(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2918999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3,5-Bis(trifluoroMethyl)hydrocinnaMic acid can be used to prepare novel biologically active amides.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-BIS(TRIFLUOROMETHYL)HYDROCINNAMIC ACID(181772-16-7)IR
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