Description

2,3,5,6-Tetrafluorobenzoic Acid (CAS No. 652-18-6) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₇H₂F₄O₂. This compound is widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material research due to its unique electronic and steric properties imparted by the tetrafluoro substitution. The product is available in white crystalline form, ensuring consistent quality for demanding applications. It exhibits excellent solubility in organic solvents such as DMSO, methanol, and dichloromethane, making it ideal for reaction optimization and scale-up processes. Suitable for use as a building block in medicinal chemistry, ligand design, and specialty polymer synthesis, this reagent meets the stringent requirements of industrial and academic researchers.

Properties

• CAS Number: 652-18-6
• Complexity: 197
• IUPAC Name: 2,3,5,6-tetrafluorobenzoic acid
• InChI: InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)
• InChI Key: KVLBXIOFJUWSJQ-UHFFFAOYSA-N
• Exact Mass: 193.99909195
• Molecular Formula: C7H2F4O2
• Molecular Weight: 194.08
• SMILES: C1=C(C(=C(C(=C1F)F)C(=O)O)F)F
• Topological: 37.3
• Monoisotopic Mass: 193.99909195
• Synonyms: 2,3,5,6-Tetrafluorobenzoic acid, 652-18-6, Benzoic acid, 2,3,5,6-tetrafluoro-, DTXSID20340798, EC 416-800-1, TFBA benzoic acid, DTXCID40291879, 416-800-1, 435-890-3, 622-115-0, kvlbxiofjuwsjq-uhfffaoysa-n, MFCD00002408, 2,3,5,6-Tetrafluorobenzoicacid, SCHEMBL148604, SCHEMBL503507, CHEMBL1207225, SBB064023, STL591967, AKOS015889830, PS-10112, SY018202, DB-025746, CS-0121656, NS00003592, ST50307853, T1881, EN300-97434, SR-01000512651, SR-01000512651-1, Z1255445912

2,3,5,6-Tetrafluorobenzoic Acid serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals and bioactive molecules. Its electron-withdrawing properties enhance the reactivity of adjacent functional groups in cross-coupling reactions. The compound is also employed in the development of liquid crystals and high-performance polymers due to its thermal stability. Researchers leverage its structural motifs for designing corrosion inhibitors and advanced coatings.

Safety and Hazards

GHS Hazard Statements

• H315: Causes skin irritation [Warning Skin corrosion/irritation]
• H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)

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