3-Bromo-5-chlorobenzoic acid

Name: 3-Bromo-5-chlorobenzoic acid
Brand: ChemScene
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CAS No. 42860-02-6
Cat. No. CS-W004992
Purity≥97%
MDL No.None

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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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General Information

CAS No. 42860-02-6
Cat. No. CS-W004992
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrClO₂
Molecular Weight 235.46
Synonym(s) Benzoic acid, 3-bromo-5-chloro-; 3-Bromo-5-chlorobenzoic acid
SMILES O=C(O)C1=CC(Cl)=CC(Br)=C1

Description

3-Bromo-5-chlorobenzoic acid features a benzene ring bearing bromo and chloro substituents at meta positions relative to the carboxylic acid group. This electron-deficient aromatic scaffold enables direct coupling in cross-coupling reactions and serves as a key intermediate in pharmaceutical synthesis. The molecule exhibits enhanced stability under standard conditions and facilitates selective functionalization in complex reaction sequences.

Application

3-Bromo-5-chlorobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct functionalization at the aromatic ring through palladium-catalyzed cross-coupling reactions. The carboxylic acid group facilitates derivatization via amide or ester formation, while the ortho-halogen substitution pattern supports sequential transformations. Its bench-stable crystalline form enables straightforward handling and purification, making it ideal for scalable synthesis of bioactive heterocycles and advanced intermediates.

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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Computational Chemistry Data

TPSA 37.3
LogP 2.8007
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

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-5-chlorobenzoic acid

CAS No. 42860-02-6

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