3-Bromo-4-chlorobenzoic acid

Name: 3-Bromo-4-chlorobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 42860-10-6
Cat. No. CS-W019483
Purity≥97%
MDL No.MFCD00079706

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 42860-10-6

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Description

3-Bromo-4-chlorobenzoic acid features a benzene ring bearing bromo and chloro substituents at adjacent positions, with a carboxylic acid group at the para position relative to the bromo. This electron-deficient aromatic core enables direct incorporation into cross-coupling reactions and serves as a key intermediate in synthesizing bioactive compounds and functionalized materials under standard conditions.

Application

3-Bromo-4-chlorobenzoic acid serves as a versatile building block for the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its dual halogenation pattern enables palladium-catalyzed cross-coupling reactions with high regioselectivity, while the carboxylic acid group facilitates derivatization via esterification, amidation, or direct coupling. The compound exhibits excellent bench stability and is compatible with standard purification methods, making it well-suited for scalable medicinal chemistry campaigns and API development workflows.

General Information

CAS No. 42860-10-6
Cat. No. CS-W019483
Purity ≥97%
MDL No. MFCD00079706
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrClO₂
Molecular Weight 235.46
Synonym(s) Dapagliflozin Impurity 50
SMILES BrC1=C(C=CC(=C1)C(=O)O)Cl

Computational Chemistry Data

TPSA 37.3
LogP 2.8007
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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-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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3-Bromo-4-chlorobenzoic acid

CAS No. 42860-10-6

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