4-Bromo-2-chloro-6-methylbenzoic acid

Name: 4-Bromo-2-chloro-6-methylbenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 877149-07-0
Cat. No. CS-0132647
Purity≥98%
MDL No.MFCD19686179

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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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4-Bromo-2-chloro-6-methylbenzoic acid|CS-0132647

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Description

4-Bromo-2-chloro-6-methylbenzoic acid features a sterically hindered aromatic core with complementary halogen and methyl substituents, enabling selective cross-coupling reactions. The carboxylic acid group provides a robust handle for peptide coupling, esterification, or metal complexation under standard conditions. This bench-stable derivative delivers high functional group tolerance in synthetic sequences requiring precise regiocontrol.

Application

4-Bromo-2-chloro-6-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering orthogonal halogenation sites for palladium-catalyzed cross-coupling reactions. The carboxylic acid group enables direct derivatization into amides, esters, or acyl chlorides, while the methyl group provides a site for oxidation or functionalization. Its bench-stable crystalline form facilitates handling and purification, and the strategic placement of bromo, chloro, and methyl substituents supports diverse late-stage modifications in target-oriented synthesis.

General Information

CAS No. 877149-07-0
Cat. No. CS-0132647
Purity ≥98%
MDL No. MFCD19686179
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrClO₂
Molecular Weight 249.49
Synonym(s) Benzoic acid, 4-broMo-2-chloro-6-Methyl-
SMILES O=C(O)C1=C(C)C=C(Br)C=C1Cl

Computational Chemistry Data

TPSA 37.3
LogP 3.10912
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

Quality Control

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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-2-chloro-6-methylbenzoic acid

CAS No. 877149-07-0

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