3-Bromo-2,6-dichlorobenzoic acid

Name: 3-Bromo-2,6-dichlorobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 80257-12-1
Cat. No. CS-0051486
Purity≥96%
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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3-Bromo-2,6-dichlorobenzoic acid|CS-0051486

Structure of 80257-12-1

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General Information

CAS No. 80257-12-1
Cat. No. CS-0051486
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrCl₂O₂
Molecular Weight 269.91
Synonym(s) 2,6-Dichloro-3-broMobenzoic acid
SMILES OC(=O)C1=C(Cl)C(Br)=CC=C1Cl

Description

3-Bromo-2,6-dichlorobenzoic acid features a sterically hindered aromatic core with complementary halogen substituents enabling selective cross-coupling reactions. The carboxylic acid group provides a handle for peptide coupling and derivatization under standard conditions. This bench-stable reagent facilitates access to complex heterocycles and functionalized scaffolds in medicinal chemistry and materials synthesis.

Application

3-Bromo-2,6-dichlorobenzoic acid serves as a versatile building block in medicinal and process chemistry, enabling efficient incorporation of bromo and dichloro substituents for downstream cross-coupling reactions. Its stability under standard synthetic conditions and compatibility with palladium-catalyzed transformations facilitate rapid access to complex aryl scaffolds. The carboxylic acid group provides additional handle for derivatization, enhancing its utility in targeted molecule synthesis.

Safety Information

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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-P280-P302+P352

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Computational Chemistry Data

TPSA 37.3
LogP 3.4541
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-2,6-dichlorobenzoic acid

CAS No. 80257-12-1

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