181772-16-7

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181772-16-7 Structure

Identification	Back 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 Properties	Back 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 Data	Back 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 Information	Back Directory
[Uses] 3,5-Bis(trifluoroMethyl)hydrocinnaMic acid can be used to prepare novel biologically active amides.

Spectrum Detail	Back Directory
[Spectrum Detail] 3,5-BIS(TRIFLUOROMETHYL)HYDROCINNAMIC ACID(181772-16-7)IR

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