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406-94-0

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406-94-0 Structure

406-94-0 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
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 DetailBack Directory
[Spectrum Detail]

4,4,4-TRIFLUOROCROTONATE ACID(406-94-0)1HNMR
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