Atomfair 4-Amino-2,3,5,6-tetrafluorobenzoic acid C7H3F4NO2 CAS 944-43-4

Description

4-Amino-2,3,5,6-tetrafluorobenzoic acid (CAS No. 944-43-4) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₇H₃F₄NO₂. This compound features a tetrafluorinated benzene ring with an amino group at the 4-position and a carboxylic acid functionality, making it a versatile building block for pharmaceutical, agrochemical, and materials science research. Its unique fluorination pattern enhances electron-withdrawing properties, improving reactivity in nucleophilic aromatic substitution (SNAr) reactions and metal-catalyzed cross-couplings. Ideal for synthesizing fluorinated analogs of bioactive molecules, this product is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC). Store in a cool, dry place under inert conditions to ensure stability.

Properties

• CAS Number: 944-43-4
• Complexity: 224
• IUPAC Name: 4-amino-2,3,5,6-tetrafluoro-benzoic acid
• InChI: InChI=1S/C7H3F4NO2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H,13,14)
• InChI Key: WTNSXWSOTDBWOR-UHFFFAOYSA-N
• Exact Mass: 209.00999099
• Molecular Formula: C7H3F4NO2
• Molecular Weight: 209.10
• SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 209.00999099
• Synonyms: 4-Amino-2,3,5,6-tetrafluorobenzoic acid, 944-43-4, Benzoic acid, 4-amino-2,3,5,6-tetrafluoro-, EINECS 213-409-6, DTXSID90241465, NSC 98742, DTXCID90163956, 213-409-6, wtnsxwsotdbwor-uhfffaoysa-n, MFCD00007647, NSC-98742, 4-AMINO-2,3,5,6-TETRAFLUOROBENZOICACID, NSC98742, 2,3,5,6-Tetrafluoro-4-aminobenzoic acid, SP4N3VPW4V, Benzoic acid,4-amino-2,3,5,6-tetrafluoro-, 4-Aminotetrafluorobenzoic acid, SCHEMBL506102, SCHEMBL20853606, SBB094145, AKOS005257870, FS-4507, SB78329, 4-Carboxy-2,3,5,6-tetrafluoroaniline, BP-31067, SY050210, 2,3,5,6-Tetrafluoro-4-amino-benzoic acid, 4-amino-2,3,5,6-tetrafluoro-benzoic acid, DB-057501, 4-amino -2,3,5,6-tetrafluoro-benzoic acid, A0987, CS-0201668, NS00042824, ST51040163, C13380, 4-Amino-2,3,5,6-tetrafluorobenzoic acid, 99%, 4-Amino-2 pound not3 pound not5 pound not6-tetrafluorobenzoic acid

Application

4-Amino-2,3,5,6-tetrafluorobenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-deficient aromatic ring facilitates the development of protease inhibitors and kinase-targeting drugs. Researchers also employ it to modify peptides and polymers for enhanced metabolic stability. In materials science, it serves as a precursor for liquid crystals and specialty coatings with improved thermal resistance.

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 (97.8%): 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 (97.8%)

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