Description

2-(Chloromethyl)-1-fluoro-3-(trifluoromethyl)benzene (CAS No. 1001096-10-1) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₅ClF₄. This specialized chemical features a chloromethyl group and a trifluoromethyl group on a fluorinated benzene ring, making it a valuable intermediate for organic synthesis, pharmaceutical research, and agrochemical development. Its unique structure enables selective functionalization, particularly in the synthesis of fluorinated analogs and bioactive molecules. Available in research-grade purity (>97%), this compound is rigorously tested via GC/MS, NMR, and HPLC to ensure consistency and performance. Suitable for use in controlled laboratory environments by qualified professionals.

Properties

• CAS Number: 1001096-10-1
• Complexity: 168
• IUPAC Name: 2-(chloromethyl)-1-fluoro-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H5ClF4/c9-4-5-6(8(11,12)13)2-1-3-7(5)10/h1-3H,4H2
• InChI Key: NVMNTWHOSXLNKZ-UHFFFAOYSA-N
• Exact Mass: 212.0015905
• Molecular Formula: C8H5ClF4
• Molecular Weight: 212.57
• SMILES: C1=CC(=C(C(=C1)F)CCl)C(F)(F)F
• Monoisotopic Mass: 212.0015905
• Synonyms: 2-(Chloromethyl)-1-fluoro-3-(trifluoromethyl)benzene, 1001096-10-1, 2-fluoro-6-trifluoromethylbenzyl chloride, SCHEMBL693177, SCHEMBL27789512, DTXSID50735734, NVMNTWHOSXLNKZ-UHFFFAOYSA-N, AKOS016006831, 2-(Chloromethyl)-3-fluorobenzotrifluoride, DA-17626, Benzene, 2-(chloromethyl)-1-fluoro-3-(trifluoromethyl)-

This compound serves as a versatile building block in medicinal chemistry for the development of fluorinated drug candidates. It is also employed in agrochemical research for synthesizing advanced crop protection agents. Additionally, its reactivity makes it useful in material science for creating specialized fluoropolymers or liquid crystal materials.

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