2-Bromo-4-chlorobenzoic acid

Name: 2-Bromo-4-chlorobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 936-08-3
Cat. No. CS-W002662
Purity≥97%
MDL No.MFCD00672930

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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 936-08-3

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Description

2-Bromo-4-chlorobenzoic acid features a benzene ring bearing bromo and chloro substituents at ortho positions relative to a carboxylic acid group. This electron-deficient aromatic system enables efficient coupling reactions in synthetic pathways. The molecule exhibits enhanced reactivity in palladium-catalyzed transformations due to the combined halogen effects. Its bench-stable crystalline form simplifies handling and purification under standard conditions.

Application

2-Bromo-4-chlorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aromatic ring through palladium-catalyzed cross-coupling reactions. Its ortho-bromine and meta-chlorine substituents provide orthogonal reactivity for sequential transformations, while the carboxylic acid group facilitates derivatization via amide formation or esterification. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis workflows.

General Information

CAS No. 936-08-3
Cat. No. CS-W002662
Purity ≥97%
MDL No. MFCD00672930
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 51
SMILES BrC1=C(C(O)=O)C=CC(Cl)=C1

Computational Chemistry Data

TPSA 37.3
LogP 2.8007
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06,GHS09
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335-H410
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P391-P405-P501

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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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2-Bromo-4-chlorobenzoic acid

CAS No. 936-08-3

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