CAS 1394040-67-5

5-(Chlorosulfonyl)-2-fluoro-3-methylbenzoic acid

Description:

5-(Chlorosulfonyl)-2-fluoro-3-methylbenzoic acid is an organic compound characterized by the presence of a benzoic acid structure with specific substituents that impart unique chemical properties. The compound features a chlorosulfonyl group, which enhances its reactivity, particularly in electrophilic substitution reactions. The presence of a fluorine atom at the 2-position of the aromatic ring contributes to its polarity and can influence its biological activity. Additionally, the methyl group at the 3-position affects the steric hindrance and electronic distribution within the molecule. This compound is likely to be a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid functional group. Its potential applications could span across pharmaceuticals and agrochemicals, where the chlorosulfonyl group may serve as a versatile intermediate in synthetic pathways. Safety precautions should be taken when handling this compound, as it may pose hazards typical of sulfonyl and halogenated compounds, including toxicity and reactivity.

Formula: C₈H₆ClFO₄S

InChI: InChI=1S/C8H6ClFO4S/c1-4-2-5(15(9,13)14)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)

InChI key: InChIKey=MQFPOGZSQQUWNC-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC(S(Cl)(=O)=O)=CC(C)=C1F

Synonyms:

• Benzoic acid, 5-(chlorosulfonyl)-2-fluoro-3-methyl-
• 5-(Chlorosulfonyl)-2-fluoro-3-methylbenzoic acid

5-(Chlorosulfonyl)-2-fluoro-3-methylbenzoic acid

CAS: 1394040-67-5

Versatile small molecule scaffold

Formula: C₈H₆ClFO₄S

Purity: Min. 95%

Molecular weight: 252.65 g/mol

Ref: 3D-UFC04067