CAS 85392-01-4

Benzoic acid, 4-chloro-2-(chlorosulfonyl)-, methyl ester

Description:

Benzoic acid, 4-chloro-2-(chlorosulfonyl)-, methyl ester, with the CAS number 85392-01-4, is an organic compound characterized by its benzoic acid structure modified with a chlorosulfonyl group and a methyl ester functional group. This compound typically appears as a white to off-white solid and is known for its reactivity due to the presence of both the chlorosulfonyl and ester functionalities. The chlorosulfonyl group can participate in electrophilic substitution reactions, making it a useful intermediate in organic synthesis. The methyl ester moiety contributes to its solubility in organic solvents and can undergo hydrolysis to yield benzoic acid upon reaction with water. Additionally, this compound may exhibit biological activity, which can be explored in various chemical and pharmaceutical applications. Safety precautions should be taken when handling this substance, as it may pose health risks due to its reactive nature and potential toxicity.

Formula: C₈H₆Cl₂O₄S

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

InChI key: InChIKey=AKVPERSFJZUJKD-UHFFFAOYSA-N

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

Synonyms:

• 4-Chloro-2-(Chlorosulfonyl) Benzoic Acid Methyl Ester
• Benzoic acid, 4-chloro-2-(chlorosulfonyl)-, methyl ester
• Methyl 4-chloro-2-(chlorosulfonyl)benzoate

Methyl 4-chloro-2-(chlorosulfonyl)benzoate

CAS: 85392-01-4

Formula: C₈H₆Cl₂O₄S

Purity: 98%

Color and Shape: Solid

Molecular weight: 269.1018

Ref: IN-DA004TMG

Methyl 4-chloro-2-(chlorosulfonyl)benzoate

CAS: 85392-01-4

Methyl 4-chloro-2-(chlorosulfonyl)benzoate

Purity: 98%

Ref: 54-OR1040125

Methyl 4-chloro-2-(chlorosulfonyl)benzoate

CAS: 85392-01-4

Formula: C₈H₆Cl₂O₄S

Purity: 98%

Color and Shape: White powder

Molecular weight: 269.09

Ref: 10-F223043

methyl 4-chloro-2-(chlorosulfonyl)benzoate

CAS: 85392-01-4

Methyl 4-chloro-2-(chlorosulfonyl)benzoate is a synthetic chemical intermediate. It is used in the industrial production of methyl benzoate and toluene sulfonic acid. Methyl 4-chloro-2-(chlorosulfonyl)benzoate can be synthesized by diazotization of 2,4-dichlorobenzenesulfonic acid followed by esterification with methyl benzoate. The reaction proceeds via an esterification reaction between the carboxylic acid group of the chlorosulfonylbenzene and the alcohol group of methyl benzoate. The efficiency of this process can be increased by using high boiling solvents such as benzene, chlorobenzene, or toluene for the esterification reaction.
Methyl 4-chloro-2-(chlorosulfonyl)benzoate is also used in the synthesis of sulfamoyl

Formula: C₈H₆Cl₂O₄S

Purity: Min. 95%

Molecular weight: 269.1 g/mol

Ref: 3D-KDA39201