Description

Sodium 2,3,4,5-tetrafluorobenzoate (CAS No. 67852-79-3) is a high-purity fluorinated aromatic carboxylate salt with the molecular formula C₇HF₄NaO₂. This compound is characterized by its tetrafluorinated benzene ring and sodium carboxylate functional group, making it a valuable intermediate in organic synthesis and pharmaceutical applications. With a molecular weight of 204.06 g/mol, it exhibits excellent solubility in polar solvents such as water, methanol, and dimethyl sulfoxide (DMSO). Suitable for research and industrial use, this product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a white to off-white crystalline powder. Store in a cool, dry place away from strong oxidizing agents.

Properties

• CAS Number: 67852-79-3
• Complexity: 216
• IUPAC Name: sodium;2,3,4,5-tetrafluorobenzoate
• InChI: InChI=1S/C7H2F4O2.Na/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;/h1H,(H,12,13);/q;+1/p-1
• InChI Key: PVMKPXIEIWFYDX-UHFFFAOYSA-M
• Exact Mass: 215.98103620
• Molecular Formula: C7HF4NaO2
• Molecular Weight: 216.06
• SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)[O-].[Na+]
• Topological: 40.1
• Monoisotopic Mass: 215.98103620
• Synonyms: Sodium 2,3,4,5-tetrafluorobenzoate, 67852-79-3, DTXSID60635493, DTXCID10586244, 692-704-5, sodium;2,3,4,5-tetrafluorobenzoate, MFCD03094400, Benzoic acid, 2,3,4,5-tetrafluoro-, sodium salt (1:1), SODIUM2,3,4,5-TETRAFLUOROBENZOATE, SCHEMBL9689516, PVMKPXIEIWFYDX-UHFFFAOYSA-M, CK2201, SBB095201, AKOS015995323, AS-81893, SY316749, CS-0157881, 2,3,4,5-tetrafluorobenzoic acid, sodium salt

Application

Sodium 2,3,4,5-tetrafluorobenzoate is widely used as a key building block in the synthesis of fluorinated pharmaceuticals, agrochemicals, and liquid crystal materials. Its tetrafluorinated aromatic structure enhances lipophilicity and metabolic stability in drug design. Researchers utilize this compound in nucleophilic aromatic substitution reactions and as a precursor for advanced fluorinated polymers. It also serves as a ligand or additive in specialty chemical formulations.

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 (100%): 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 (100%)

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