2-Amino-4-bromo-3-fluorobenzoic acid

CAS No. 1416013-62-1
Cat. No. CS-B1281
Molecule weight234.02
Purity≥97%
MDL No.MFCD27664889

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Type	HazMat Fee
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2-Amino-4-bromo-3-fluorobenzoic acid|CS-B1281

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General Information

CAS No. 1416013-62-1
Cat. No. CS-B1281
Purity ≥97%
MDL No. MFCD27664889
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrFNO₂
Molecular Weight 234.02
Synonym(s) Benzoic acid, 2-amino-4-bromo-3-fluoro-
SMILES O=C(O)C1=CC=C(Br)C(F)=C1N

Description

2-Amino-4-bromo-3-fluorobenzoic acid features a unique trifunctional aromatic core with amino, bromo, and fluoro substituents positioned for orthogonal reactivity. This electron-deficient scaffold enables direct incorporation into bioactive molecule synthesis, offering enhanced metabolic stability and tailored electronic properties in pharmaceutical intermediates.

Application

2-Amino-4-bromo-3-fluorobenzoic acid serves as a versatile building block for heterocyclic synthesis and medicinal chemistry campaigns. Its ortho-amino and carboxylic acid functionalities enable direct coupling and cyclization reactions, while the bromo and fluoro substituents provide handles for palladium-catalyzed cross-coupling and site-specific derivatization. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for scalable intermediate synthesis.

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 63.32
LogP 1.8686
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

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-Amino-4-bromo-3-fluorobenzoic acid

CAS No. 1416013-62-1

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