Description

3,5-Dichloro-2,4,6-trifluorobenzoic acid (CAS No. 13656-36-5) is a highly specialized halogenated benzoic acid derivative with the molecular formula C₇HCl₂F₃O₂. This compound features a unique trifluorinated and dichlorinated aromatic ring structure, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Its high purity (>98%) ensures optimal performance in demanding applications such as agrochemical synthesis, material science, and medicinal chemistry. The compound is supplied as a crystalline solid with excellent stability under recommended storage conditions (2-8°C in a dry environment). Ideal for researchers requiring precise fluorinated building blocks for advanced molecular design.

Properties

• CAS Number: 13656-36-5
• Complexity: 225
• IUPAC Name: 3,5-dichloro-2,4,6-trifluoro-benzoic acid
• InChI: InChI=1S/C7HCl2F3O2/c8-2-4(10)1(7(13)14)5(11)3(9)6(2)12/h(H,13,14)
• InChI Key: WOGODDMTAFMNSE-UHFFFAOYSA-N
• Exact Mass: 243.9305691
• Molecular Formula: C7HCl2F3O2
• Molecular Weight: 244.98
• SMILES: C1(=C(C(=C(C(=C1F)Cl)F)Cl)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 243.9305691
• Synonyms: 3,5-dichloro-2,4,6-trifluorobenzoic acid, 13656-36-5, DTXSID30382129, DTXCID10333154, 629-832-8, Benzoic acid, 3,5-dichloro-2,4,6-trifluoro-, MFCD00036040, 3,5-DICHLORO-2,4,6-TRIFLUOROBENZOICACID, SCHEMBL10406919, SBB099932, AKOS005258560

Application

3,5-Dichloro-2,4,6-trifluorobenzoic acid serves as a critical precursor in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its polyhalogenated structure enables selective derivatization for creating bioactive molecules with enhanced metabolic stability. Researchers utilize this compound in Suzuki coupling reactions and as a scaffold for developing PET radiotracers. The electron-withdrawing properties of its halogen groups make it particularly useful in nucleophilic aromatic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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