2-Amino-4-bromo-6-fluorobenzoic acid

Name: 2-Amino-4-bromo-6-fluorobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 1312454-86-6
Cat. No. CS-0102001
Purity≥98%
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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2-Amino-4-bromo-6-fluorobenzoic acid|CS-0102001

Structure of 1312454-86-6

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General Information

CAS No. 1312454-86-6
Cat. No. CS-0102001
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrFNO₂
Molecular Weight 234.02
Synonym(s) None
SMILES O=C(O)C1=C(F)C=C(Br)C=C1N

Description

2-Amino-4-bromo-6-fluorobenzoic acid features a strategically positioned amino group flanked by bromo and fluoro substituents, enabling selective coupling reactions. This electron-deficient aromatic scaffold integrates readily into pharmaceutical intermediates and functional materials, offering enhanced reactivity under standard conditions.

Application

2-Amino-4-bromo-6-fluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted heterocycles and bioactive scaffolds. Its orthogonal functional groups—amino, bromo, and fluoro—facilitate diverse downstream transformations including Suzuki-Miyaura coupling, nucleophilic aromatic substitution, and amide formation. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis and API intermediate development.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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-6-fluorobenzoic acid

CAS No. 1312454-86-6

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