Description

4-Amino-2-fluorobenzoic acid (CAS No. 446-31-1) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₆FNO₂. This white to off-white crystalline powder is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. With a molecular weight of 155.13 g/mol, it features both an amino (-NH₂) and carboxylic acid (-COOH) functional group on a fluorinated benzene ring, making it valuable for nucleophilic substitution reactions and metal-catalyzed cross-coupling. Ideal for researchers developing active pharmaceutical ingredients (APIs), fluorescent probes, or specialty chemicals. Available in ≥98% purity (HPLC) with batch-specific certificates of analysis. Store in a cool, dry place protected from light.

Properties

• CAS Number: 446-31-1
• Complexity: 163
• IUPAC Name: 4-amino-2-fluoro-benzoic acid
• InChI: InChI=1S/C7H6FNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
• InChI Key: QHERSCUZBKDVOC-UHFFFAOYSA-N
• Exact Mass: 155.03825660
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.13
• SMILES: C1=CC(=C(C=C1N)F)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 155.03825660
• Synonyms: 4-Amino-2-fluorobenzoic acid, DTXSID00307208, DTXCID30258335, 626-824-6, 446-31-1, 4-amino-2-fluoro-benzoic acid, MFCD01569397, 4-Amino-2-fluorobenzoicacid, BENZOIC ACID, 4-AMINO-2-FLUORO-, 4-amino-2-fluorobenzenecarboxylic acid, NSC190362, 2-Fluor-4-amino-benzoesaure, SCHEMBL101125, 4-amino-2-fluoro benzoic acid, CHEMBL3278353, AB2615, AC-985, SBB028315, 4-Amino-2-fluorobenzoic acid, 97%, AKOS005071415, CS-W007847, FA53800, HY-W007847, NSC-190362, SB37217, SY008893, DB-006628, EN300-101502, 8T-0213, Z851819874

Application

4-Amino-2-fluorobenzoic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and antibacterial agents. Its reactive sites enable derivatization into amides, esters, or heterocyclic compounds for drug discovery programs. The fluorine atom enhances metabolic stability in bioactive molecules, making this compound valuable for medicinal chemistry optimization. Researchers also utilize it to create fluorescent tags for biochemical assays.

Safety and Hazards

GHS Hazard Statements

• H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (81.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (18.8%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (83.3%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (81.2%)
• Eye Irrit. 2A (18.8%)
• STOT SE 3 (97.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.