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224584-18-3

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224584-18-3 Structure

224584-18-3 Structure
IdentificationBack Directory
[Name]

3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylicacid
[CAS]

224584-18-3
[Synonyms]

3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylicacid
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(trifluoromethyl)-
3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid(WXFC0807)
[Molecular Formula]

C7H7F3O2
[MDL Number]

MFCD20544759
[MOL File]

224584-18-3.mol
[Molecular Weight]

180.12
Chemical PropertiesBack Directory
[Melting point ]

152-153 °C
[Boiling point ]

194.2±35.0 °C(Predicted)
[density ]

1.722±0.06 g/cm3(Predicted)
[pka]

4.38±0.40(Predicted)
[InChI]

InChI=1S/C7H7F3O2/c8-7(9,10)6-1-5(2-6,3-6)4(11)12/h1-3H2,(H,11,12)
[InChIKey]

CGISBZCYXGUFNK-UHFFFAOYSA-N
[SMILES]

C12(C(O)=O)CC(C(F)(F)F)(C1)C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P260-P280-P301+P312-P302+P352-P304+P340-P361+P364
[HS Code ]

2916200090
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylicacid(224584-18-3)1HNMR
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