406-94-0

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406-94-0 Structure

Identification	Back Directory
[Name] 4,4,4-TRIFLUOROCROTONATE ACID
[CAS] 406-94-0
[Synonyms] 4,4,4-TRIFLUOROCROTONATE ACID (E)-4,4,4-trifluorobut-2-enoate
[Molecular Formula] C4H3F3O2
[MDL Number] MFCD02181180
[MOL File] 406-94-0.mol
[Molecular Weight] 140.06

Chemical Properties	Back Directory
[Melting point ] 51 °C
[Boiling point ] 206.5±40.0 °C(Predicted)
[density ] 1.411±0.06 g/cm3(Predicted)
[storage temp. ] Store at room temperature
[pka] 3.19±0.10(Predicted)
[Appearance] White to off-white Solid
[InChI] InChI=1S/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)/b2-1+
[InChIKey] QZBAYURFHCTXOJ-OWOJBTEDSA-N
[SMILES] C(O)(=O)/C=C/C(F)(F)F

Safety Data	Back Directory
[Symbol(GHS) ] GHS05
[Signal word ] Danger
[Hazard statements ] H314
[Precautionary statements ] P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501

Spectrum Detail	Back Directory
[Spectrum Detail] 4,4,4-TRIFLUOROCROTONATE ACID(406-94-0)¹HNMR

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