4-Amino-2,3-difluorobenzoic acid

Name: 4-Amino-2,3-difluorobenzoic acid
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CAS No. 194804-85-8
Cat. No. CS-0028802
Purity≥95%
MDL No.MFCD04114097

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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-Amino-2,3-difluorobenzoic acid|CS-0028802

Structure of 194804-85-8

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General Information

CAS No. 194804-85-8
Cat. No. CS-0028802
Purity ≥95%
MDL No. MFCD04114097
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅F₂NO₂
Molecular Weight None
Synonym(s) 4-Amino-2,3-Difluorobenoic Acid
SMILES O=C(O)C1=CC=C(N)C(F)=C1F

Description

4-Amino-2,3-difluorobenzoic acid features a strategically positioned amino group flanked by two fluorine atoms on the aromatic ring, enabling enhanced electronic modulation and metabolic stability. This configuration supports direct integration into bioactive scaffolds, particularly in kinase inhibitors and pharmaceutical intermediates where electron-withdrawing fluorines fine-tune reactivity and binding affinity.

Application

4-Amino-2,3-difluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its dual functionality—amine and carboxylic acid—facilitates diverse coupling reactions, including amide formation and amidation, while the ortho-fluorine substituents enhance metabolic stability and modulate electronic properties. The compound exhibits good bench stability and compatibility with standard purification methods, supporting its use in multi-step syntheses and API development.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 63.32
LogP 1.2452
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Amino-2,3-difluorobenzoic acid

CAS No. 194804-85-8

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