3-Chloro-5-methylbenzoic acid

Name: 3-Chloro-5-methylbenzoic acid
Brand: ChemScene
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CAS No. 56961-33-2
Cat. No. CS-W003746
Purity≥95%
MDL No.MFCD11007823

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-Chloro-5-methylbenzoic acid|CS-W003746

Structure of 56961-33-2

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Description

3-Chloro-5-methylbenzoic acid features a benzoic acid core substituted with a chlorine atom at the meta position and a methyl group at the para position relative to the carboxylate. This electron-withdrawing chlorine combined with the electron-donating methyl creates a balanced electronic profile, enhancing versatility in pharmaceutical synthesis. The compound exhibits good solubility in organic solvents and stability under standard bench conditions, facilitating its use in coupling reactions and as a building block for bioactive molecules.

Application

3-Chloro-5-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of substituted aromatic scaffolds via standard coupling reactions. Its ortho-directing carboxylic acid group and meta-substituted halogen/methyl functionalities provide predictable reactivity for amide formation, esterification, and transition-metal-catalyzed cross-couplings. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses requiring functional group compatibility and regiocontrol.

General Information

CAS No. 56961-33-2
Cat. No. CS-W003746
Purity ≥95%
MDL No. MFCD11007823
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇ClO₂
Molecular Weight 170.59
Synonym(s) 3-Chloro-5-Methyl benzoic acid
SMILES Cc1cc(Cl)cc(c1)C(=O)O

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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3-Chloro-5-methylbenzoic acid

CAS No. 56961-33-2

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