Description

3-Amino-2-fluorobenzoic acid (CAS No. 914223-43-1) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₆FNO₂. This fine chemical is a valuable building block in organic synthesis, pharmaceutical research, and agrochemical development. The compound features both an amino (-NH₂) and carboxylic acid (-COOH) functional group on a fluorinated benzene ring, making it particularly useful for further derivatization.

Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a white to off-white crystalline powder. It is stable under recommended storage conditions (2-8°C in a tightly sealed container) and should be protected from light and moisture. The compound is soluble in most polar organic solvents including DMSO, methanol, and ethanol.

Key applications include use as:

• Intermediate in active pharmaceutical ingredient (API) synthesis
• Building block for fluorinated liquid crystals
• Precursor for PET radiotracer development
• Ligand in coordination chemistry

Safety Data Sheets are available upon request. For research use only. Not intended for diagnostic or therapeutic use.

Properties

• CAS Number: 914223-43-1
• Complexity: 163
• IUPAC Name: 3-amino-2-fluoro-benzoic acid
• InChI: InChI=1S/C7H6FNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
• InChI Key: WZCZMWMNVHEBCK-UHFFFAOYSA-N
• Exact Mass: 155.03825660
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.13
• SMILES: C1=CC(=C(C(=C1)N)F)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 155.03825660
• Synonyms: 3-amino-2-fluorobenzoic acid, 914223-43-1, DTXSID50630573, DTXCID60581325, 855-861-2, 3-amino-2-fluoro-benzoic acid, MFCD06797827, Benzoicacid, 3-amino-2-fluoro-, 3-Amino-2-fluorobenzoicacid, SCHEMBL602307, 3-amino-2-fluoro benzoic acid, WZCZMWMNVHEBCK-UHFFFAOYSA-N, BCP01533, SBB063487, AKOS005258739, AC-3882, CS-W019562, SB39872, DS-13023, SY110162, DB-079019, EN300-103381, A1-94059, Z1198170687, (3-Amino-2-fluorophenyl)(3-(dimethylamino)azetidin-1-yl)methanone

Application

3-Amino-2-fluorobenzoic acid serves as a versatile intermediate in medicinal chemistry, particularly in the development of fluorinated drug candidates where the fluorine atom can enhance metabolic stability and bioavailability. The compound is valuable in synthesizing benzodiazepine analogs and other heterocyclic systems common in CNS-active pharmaceuticals. Its dual functionality allows for selective modification of either the amino or carboxylic acid group, making it useful for structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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