Description

Sodium 2-(Trifluoromethyl)benzoate (CAS No. 2966-44-1) is a high-purity organic salt with the molecular formula C₈H₄F₃NaO₂. This compound is widely utilized in pharmaceutical and chemical research due to its trifluoromethyl functional group, which enhances reactivity and stability in synthetic applications. It is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC), ensuring consistency for advanced laboratory use. Suitable for use as an intermediate in drug synthesis, catalyst studies, and material science, this product is rigorously tested for quality, including residual solvent analysis and heavy metal screening. Packaged under inert conditions to maintain stability, it is ideal for researchers requiring precise and reliable reagents.

Properties

• CAS Number: 2966-44-1
• Complexity: 205
• IUPAC Name: sodium;2-(trifluoromethyl)benzoate
• InChI: InChI=1S/C8H5F3O2.Na/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1
• InChI Key: AJZQZRSXCDEJLT-UHFFFAOYSA-M
• Exact Mass: 212.00610813
• Molecular Formula: C8H4F3NaO2
• Molecular Weight: 212.10
• SMILES: C1=CC=C(C(=C1)C(=O)[O-])C(F)(F)F.[Na+]
• Topological: 40.1
• Monoisotopic Mass: 212.00610813
• Synonyms: 2966-44-1, Benzoic acid, 2-(trifluoromethyl)-, sodium salt (1:1), Sodium 2-(trifluoromethyl)benzoate, Sodium 2-trifluoromethylbenzoate, sodium;2-(trifluoromethyl)benzoate, SCHEMBL25404889, DTXSID60660129, AJZQZRSXCDEJLT-UHFFFAOYSA-M, MFCD08458002, SBB094595, AKOS027323500, 2-(trifluoromethyl)benzoic acid, sodium salt, H40990

Application

Sodium 2-(Trifluoromethyl)benzoate serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of bioactive molecules with enhanced metabolic stability. Its trifluoromethyl group is valuable in agrochemical research for designing herbicides and pesticides. The compound is also employed in material science for modifying polymer properties and in catalysis studies for exploring novel reaction pathways.

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