2-Chloro-4-methylbenzoic acid

CAS No. 7697-25-8
Cat. No. CS-W005794
Purity≥98%
MDL No.MFCD03094667

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2-Chloro-4-methylbenzoic acid|CS-W005794

Structure of 7697-25-8

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Description

2-Chloro-4-methylbenzoic acid features a strategically positioned chloro group and methyl substituent on the aromatic ring, enabling selective functionalization in pharmaceutical intermediates. This electron-deficient benzoic acid derivative exhibits enhanced reactivity in coupling reactions and maintains stability under standard bench conditions.

Application

2-Chloro-4-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering a well-defined ortho-chloro and meta-methyl substitution pattern on the aromatic ring. Its carboxylic acid functionality enables direct coupling reactions, including amide formation and esterification, while maintaining stability under standard bench conditions. The molecule exhibits predictable reactivity in electrophilic aromatic substitution and functions effectively in Suzuki-Miyaura and Stille couplings when appropriately activated. Its defined regiochemistry supports reliable downstream derivatization for API development and heterocyclic scaffold construction.

General Information

CAS No. 7697-25-8
Cat. No. CS-W005794
Purity ≥98%
MDL No. MFCD03094667
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇ClO₂
Molecular Weight 170.59
Synonym(s) 4-Carboxy-3-chlorotoluene, 2-Chloro-p-toluic acid
SMILES O=C(O)C1=CC=C(C)C=C1Cl

Computational Chemistry Data

TPSA 37.3
LogP 2.34662
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-4-methylbenzoic acid

CAS No. 7697-25-8

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