4-Bromo-2-chloro-6-fluorobenzoic acid

Name: 4-Bromo-2-chloro-6-fluorobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 1321613-01-7
Cat. No. CS-0040459
Purity≥98%
MDL No.MFCD18917163

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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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4-Bromo-2-chloro-6-fluorobenzoic acid|CS-0040459

Structure of 1321613-01-7

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General Information

CAS No. 1321613-01-7
Cat. No. CS-0040459
Purity ≥98%
MDL No. MFCD18917163
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClFO₂
Molecular Weight 253.45
Synonym(s) 4-BROMO-2-FLUORO-6-CHLOROBENZOIC ACID
SMILES O=C(O)C1=C(F)C=C(Br)C=C1Cl

Description

4-Bromo-2-chloro-6-fluorobenzoic acid features a trifluorinated aromatic core with orthogonal halogen handles enabling selective cross-coupling. This electron-deficient scaffold integrates readily into pharmaceutical intermediates, offering enhanced metabolic stability and tunable solubility under standard conditions.

Application

4-Bromo-2-chloro-6-fluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated heterocyclic scaffolds via standard coupling and cyclization protocols. Its orthogonal halogenation pattern facilitates sequential cross-coupling reactions with high regiocontrol, while the carboxylic acid group supports direct derivatization or activation for amide bond formation. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis workflows.

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 2.9398
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

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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4-Bromo-2-chloro-6-fluorobenzoic acid

CAS No. 1321613-01-7

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