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1883301-82-3

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1883301-82-3 Structure

1883301-82-3 Structure
IdentificationBack Directory
[Name]

(1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid
[CAS]

1883301-82-3
[Synonyms]

(S)-2,2-difluorocyclopropanecarboxylic acid
(1S)-2,2-difluorocyclopropanecarboxylic acid
(S)-2,2-difluorocyclopropane-1-carboxylic acid
(1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid
Cyclopropanecarboxylic acid, 2,2-difluoro-, (1S)-
(1S)-2,2-Difluorocyclopropane-1-carboxylic acid ee
[Molecular Formula]

C4H4F2O2
[MDL Number]

MFCD30471588
[MOL File]

1883301-82-3.mol
[Molecular Weight]

122.07
Chemical PropertiesBack Directory
[Boiling point ]

188.7±40.0 °C(Predicted)
[density ]

1.48±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

3.22±0.22(Predicted)
[Appearance]

White to light yellow Solid
[Optical Rotation]

0.53°(C=1.00g/100ml ETOH)
[InChI]

InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)/t2-/m0/s1
[InChIKey]

KMLMOVWSQPHQME-REOHCLBHSA-N
[SMILES]

[C@@H]1(C(O)=O)CC1(F)F
[CAS DataBase Reference]

1883301-82-3
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
Hazard InformationBack Directory
[Uses]

(1S)-2,2-difluorocyclopropane-1-carboxylic acid is a gem-fluorinated cyclopropanecarboxylic acid building block used as a synthesis intermediate for APIs, such as Brepocitinib.
Spectrum DetailBack Directory
[Spectrum Detail]

(1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid(1883301-82-3)1HNMR
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