2-Bromo-3-methylbenzoic acid

CAS No. 53663-39-1
Cat. No. CS-W007601
Purity≥98%
MDL No.MFCD00079721

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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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Structure of 53663-39-1

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Description

2-Bromo-3-methylbenzoic acid features a bromine atom at the ortho position relative to the carboxylic acid, paired with a methyl group at the adjacent meta site. This substitution pattern imparts enhanced electronic and steric character, facilitating efficient coupling reactions in synthetic pathways. The compound serves as a valuable intermediate in pharmaceutical and agrochemical synthesis.

Application

2-Bromo-3-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aromatic ring via palladium-catalyzed cross-coupling reactions. The carboxylic acid group facilitates derivatization to esters, amides, or acyl chlorides, while the bromo and methyl substituents offer orthogonal reactivity for sequential modifications. Its bench-stable crystalline form ensures reliable handling and purification in multi-step syntheses.

General Information

CAS No. 53663-39-1
Cat. No. CS-W007601
Purity ≥98%
MDL No. MFCD00079721
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrO₂
Molecular Weight 215.04
Synonym(s) 3-Methyl -2-Bromobenzoic acid; 2-Bromo-3-methylbenzoic acid
SMILES BrC1=C(C(=O)O)C=CC=C1C

Computational Chemistry Data

TPSA 37.3
LogP 2.45572
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 Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-3-methylbenzoic acid

CAS No. 53663-39-1

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