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4837-22-3

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4837-22-3 Structure

4837-22-3 Structure
IdentificationBack Directory
[Name]

4-(Difluoro-methanesulfonyl)-benzoic acid
[CAS]

4837-22-3
[Synonyms]

Benzoic acid, 4-[(difluoromethyl)sulfonyl]-
[Molecular Formula]

C8H6F2O4S
[MDL Number]

MFCD00766762
[MOL File]

4837-22-3.mol
[Molecular Weight]

236.19
Chemical PropertiesBack Directory
[Melting point ]

238 °C
[Boiling point ]

416.0±45.0 °C(Predicted)
[density ]

1.523±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

3.34±0.10(Predicted)
[InChI]

InChI=1S/C8H6F2O4S/c9-8(10)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)
[InChIKey]

BFPZRESURWVHTN-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Difluoro-methanesulfonyl)-benzoic acid(4837-22-3)1HNMR
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