2-[(Difluoromethyl)sulfonyl]benzoic acid
CAS Registry Number®
79676-58-7
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CAS Name
2-[(Difluoromethyl)sulfonyl]benzoic acidMolecular Formula
C8H6F2O4SMolecular Mass
236.19Cite this Page
2-[(Difluoromethyl)sulfonyl]benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=79676-58-7 (retrieved ) (CAS RN: 79676-58-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
139-140 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C8H6F2O4S/c9-8(10)15(13,14)6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)
InChIKey
InChIKey=XLEBSMWWVRWRTM-UHFFFAOYSA-N
SMILES
S(C(F)F)(=O)(=O)C1=C(C(O)=O)C=CC=C1
Canonical SMILES
O=C(O)C=1C=CC=CC1S(=O)(=O)C(F)F
Other Names for this Substance
- Benzoic acid, 2-[(difluoromethyl)sulfonyl]-
- 2-[(Difluoromethyl)sulfonyl]benzoic acid
- 2-Difluoromethanesulfonylbenzoic acid