Description

2-Amino-4,5-difluorobenzoic acid (CAS No. 83506-93-8) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₇H₅F₂NO₂. This compound is a versatile intermediate in pharmaceutical and agrochemical research, particularly in the synthesis of fluorinated active ingredients. Its unique structural features, including the amino and carboxylic acid functional groups, make it an essential building block for medicinal chemistry applications. The product is supplied as a fine white to off-white crystalline powder with ≥97% purity (HPLC), ensuring consistency for sensitive reactions. It is stable under recommended storage conditions (2-8°C in a dry environment) and compatible with common organic solvents. Ideal for researchers developing novel fluorinated compounds, this specialty chemical undergoes rigorous QC testing including NMR, HPLC, and mass spectrometry verification.

Properties

• CAS Number: 83506-93-8
• Complexity: 188
• IUPAC Name: 2-amino-4,5-difluoro-benzoic acid
• InChI: InChI=1S/C7H5F2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)
• InChI Key: DGOZIZVTANAGCA-UHFFFAOYSA-N
• Exact Mass: 173.02883473
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.12
• SMILES: C1=C(C(=CC(=C1F)F)N)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 173.02883473
• Synonyms: 2-Amino-4,5-difluorobenzoic acid, 83506-93-8, DTXSID60352890, 2A45DFBA, DTXCID70303954, 627-164-1, 4,5-Difluoroanthranilic acid, MFCD00077509, Benzoic acid, 2-amino-4,5-difluoro-, 4,5-Difluoroantranilic acid, SCHEMBL222733, 4,5-difluoro anthranilic acid, 4,5-difluoro-2-aminobenzoic acid, 2-amino-4, 5-difluorobenzoic acid, 2-amino-4,5-difluoro benzoic acid, 4,5-Difluoroanthranilic acid, 97%, CX1067, SBB063722, STL102637, AKOS005064043, AC-3213, BS-3943, CS-W002329, SY004952, DB-020406, D4063, ST50408265, EN300-65895, F0001-2131, Z362758702

2-Amino-4,5-difluorobenzoic acid serves as a critical precursor in the synthesis of fluorinated pharmaceuticals, particularly kinase inhibitors and antibacterial agents. Its difluoro substitution pattern enhances metabolic stability in drug candidates while the carboxylic acid moiety enables facile derivatization. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to construct complex heterocyclic systems. The material also finds application in material science as a monomer for specialty polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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