Description

2,3,4,5-Tetrafluorobenzoic Acid (CAS No. 1201-31-6) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₇H₂F₄O₂. This compound is characterized by its four fluorine substituents on the benzene ring, which impart unique electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is 2,3,4,5-tetrafluorobenzoic acid, and it is supplied as a white to off-white crystalline powder with a purity of ≥98% (HPLC). Suitable for use in cross-coupling reactions, ligand synthesis, and as a building block for advanced materials, this product is rigorously tested for consistency and quality. Store in a cool, dry place, protected from light and moisture.

Properties

• CAS Number: 1201-31-6
• Complexity: 211
• IUPAC Name: 2,3,4,5-tetrafluorobenzoic acid
• InChI: InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
• InChI Key: SFKRXQKJTIYUAG-UHFFFAOYSA-N
• Exact Mass: 193.99909195
• Molecular Formula: C7H2F4O2
• Molecular Weight: 194.08
• SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 193.99909195
• Synonyms: 2,3,4,5-Tetrafluorobenzoic acid, 1201-31-6, Benzoic acid, 2,3,4,5-tetrafluoro-, SFKRXQKJTIYUAG-UHFFFAOYSA-, DTXSID80304992, NSC 168728, 2,3,4,5-tetra FBA, DTXCID20256123, 601-673-9, inchi=1/c7h2f4o2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1h,(h,12,13), sfkrxqkjtiyuag-uhfffaoysa-n, 2,3,4,5-tetrafluoro benzoic acid, MFCD00009613, 2,3,4,5-Tetrafluorobenzoicacid, Benzoic acid, tetrafluoro-, Tetrafluorobenzoic acid, NSC168728, SCHEMBL503374, SCHEMBL1899702, SCHEMBL7896496, 2,3,4,5-tetrafluorbenzoic acid, SBB063721, AKOS001042135, FT37376, NSC-168728, 2,3,4,5-Tetrafluorobenzoic acid, 99%, AC-10648, AS-10827, SY004714, DB-049808, CS-0092457, NS00020375, ST50307040, T1395, EN300-00084, D70864, Z56896348, F0293-0125

Application

2,3,4,5-Tetrafluorobenzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its electron-withdrawing fluorine atoms enhance reactivity in nucleophilic aromatic substitution (SNAr) and metal-catalyzed coupling reactions. Researchers employ it to develop fluorinated liquid crystals, polymers, and ligands for catalysis. In medicinal chemistry, it serves as a scaffold for designing bioactive molecules with improved metabolic stability and lipophilicity.

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 (98%): 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 (98%)

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