2-Amino-4-bromo-3,6-difluorobenzoic acid

Name: 2-Amino-4-bromo-3,6-difluorobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 1698535-33-9
Cat. No. CS-0146695
Purity≥95%
MDL No.MFCD34471167

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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-3,6-difluorobenzoic acid|CS-0146695

Structure of 1698535-33-9

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General Information

CAS No. 1698535-33-9
Cat. No. CS-0146695
Purity ≥95%
MDL No. MFCD34471167
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrF₂NO₂
Molecular Weight 252.01
Synonym(s) None
SMILES O=C(O)C1=C(F)C=C(Br)C(F)=C1N

Description

2-Amino-4-bromo-3,6-difluorobenzoic acid features a uniquely activated aromatic core with orthogonal functional groups enabling direct coupling and derivatization. The electron-deficient ring supports efficient transition-metal-catalyzed transformations, while the carboxylic acid moiety facilitates conjugation and solubility tuning. This scaffold delivers high reactivity under standard conditions for advanced synthetic applications.

Application

2-Amino-4-bromo-3,6-difluorobenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling direct incorporation of multiple orthogonal functional groups—amino, bromo, and difluoro—into complex heterocyclic scaffolds. Its bench-stable nature and compatibility with Pd-catalyzed cross-coupling, nucleophilic substitution, and amide formation streamline the construction of bioactive molecules.

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 63.32
LogP 2.0077
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-3,6-difluorobenzoic acid

CAS No. 1698535-33-9

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