3-Bromo-5-chloro-2-fluorobenzoic acid

Name: 3-Bromo-5-chloro-2-fluorobenzoic acid
Brand: ChemScene
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CAS No. 1269232-93-0
Cat. No. CS-0010961
Purity≥97%
MDL No.MFCD21607478

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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-5-chloro-2-fluorobenzoic acid|CS-0010961

Structure of 1269232-93-0

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General Information

CAS No. 1269232-93-0
Cat. No. CS-0010961
Purity ≥97%
MDL No. MFCD21607478
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClFO₂
Molecular Weight 253.45
Synonym(s) Benzoic acid, 3-broMo-5-chloro-2-fluoro-
SMILES FC1=C(Br)C=C(Cl)C=C1C(O)=O

Description

3-Bromo-5-chloro-2-fluorobenzoic acid features a trifluorinated aromatic core with orthogonal halogen substituents enabling selective cross-coupling. This electron-deficient scaffold integrates readily into bioactive scaffolds, offering enhanced metabolic stability and controlled reactivity under standard coupling conditions.

Application

3-Bromo-5-chloro-2-fluorobenzoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its orthogonal halogenation pattern enables selective cross-coupling reactions, including Suzuki-Miyaura and Stille couplings, with high functional group tolerance. The carboxylic acid group facilitates direct derivatization or activation for amide formation, while the molecule exhibits excellent bench stability and ease of purification, making it well-suited for scalable medicinal chemistry campaigns.

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

Quality Control

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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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3-Bromo-5-chloro-2-fluorobenzoic acid

CAS No. 1269232-93-0

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