CAS 1099660-67-9

Benzoic acid, 3-(chlorosulfonyl)-4-fluoro-, methyl ester

Description:

Benzoic acid, 3-(chlorosulfonyl)-4-fluoro-, methyl ester, identified by CAS number 1099660-67-9, is an organic compound characterized by the presence of a benzoic acid moiety modified with a chlorosulfonyl group and a fluorine atom at specific positions on the aromatic ring. This compound typically exhibits properties associated with both acidic and ester functionalities, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. The chlorosulfonyl group introduces significant reactivity, allowing for further functionalization, while the fluorine atom can influence the compound's electronic properties and lipophilicity. As an ester, it may also display lower boiling points and increased volatility compared to its acid counterpart. The presence of these functional groups suggests potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Safety and handling precautions should be observed due to the reactive nature of the chlorosulfonyl group, which can pose hazards in laboratory settings.

Formula: C₈H₆ClFO₄S

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

InChI key: InChIKey=OUXKMWVLGUQISR-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3-(chlorosulfonyl)-4-fluoro-, methyl ester
• Methyl 3-(chlorosulfonyl)-4-fluorobenzoate

Methyl 3-(chlorosulfonyl)-4-fluorobenzoate

CAS: 1099660-67-9

Methyl 3-(chlorosulfonyl)-4-fluorobenzoate

Formula: C₈H₆ClFO₄S

Purity: ≥95%

Color and Shape: white to off white crystalline solid

Molecular weight: 252.65g/mol

Ref: 54-PC49447