CAS 80563-88-8

Methyl 2-chloro-6-(chlorosulfonyl)benzoate

Description:

Methyl 2-chloro-6-(chlorosulfonyl)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with both a chlorine atom and a chlorosulfonyl group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its reactivity due to the presence of the chlorosulfonyl group, which can participate in various nucleophilic substitution reactions. The compound is soluble in organic solvents, making it useful in synthetic organic chemistry, particularly in the preparation of other chemical entities. Methyl 2-chloro-6-(chlorosulfonyl)benzoate is also of interest in agrochemical applications, potentially serving as an intermediate in the synthesis of herbicides or other agricultural chemicals. Safety precautions are essential when handling this compound, as it may pose health risks, including irritation to the skin, eyes, and respiratory system. Proper storage and disposal methods should be followed to mitigate environmental impact and ensure safety.

Formula: C₈H₆Cl₂O₄S

InChI: InChI=1S/C8H6Cl2O4S/c1-14-8(11)7-5(9)3-2-4-6(7)15(10,12)13/h2-4H,1H3

InChI key: InChIKey=JCWPOAFRJQXRKG-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(S(Cl)(=O)=O)C=CC=C1Cl

Synonyms:

• Benzoic acid, 2-chloro-6-(chlorosulfonyl)-, methyl ester
• Methyl 2-chlorosulfonyl-6-chlorobenzoate
• Methyl 2-chloro-6-(chlorosulfonyl)benzoate