Description

1-Chloro-4-fluoro-2-(trifluoromethyl)benzene (CAS No. 89634-75-3) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₃ClF₄. This specialty chemical is widely utilized in pharmaceutical, agrochemical, and material science research due to its unique trifluoromethyl and halogen-substituted benzene structure. The compound is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor, and is rigorously tested to meet stringent quality standards (≥98% purity by GC analysis). It is packaged under inert gas to ensure stability and shipped with a detailed Certificate of Analysis. Ideal for use as a building block in organic synthesis, cross-coupling reactions, and as a precursor for advanced fluorinated materials.

Key Features:
– High chemical purity (≥98%)
– Optimal for nucleophilic substitution and metal-catalyzed reactions
– Compatible with Grignard reagents and lithiation reactions
– Moisture-sensitive; store under inert atmosphere
– Available in research (5g, 25g) and bulk quantities (100g, 1kg)

Properties

• CAS Number: 89634-75-3
• Complexity: 156
• IUPAC Name: 1-chloro-4-fluoro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3ClF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
• InChI Key: CBMMVERXHJUMCM-UHFFFAOYSA-N
• Exact Mass: 197.9859404
• Molecular Formula: C7H3ClF4
• Molecular Weight: 198.54
• SMILES: C1=CC(=C(C=C1F)C(F)(F)F)Cl
• Monoisotopic Mass: 197.9859404
• Synonyms: 89634-75-3, 1-chloro-4-fluoro-2-(trifluoromethyl)benzene, DTXSID80544917, DTXCID70495702, 2-Chloro-5-fluorobenzotrifluoride, MFCD07782058, Benzene, 1-chloro-4-fluoro-2-(trifluoromethyl)-, SCHEMBL3920564, SCHEMBL7266268, 5-Fluoro-2-chlorobenzotrifluoride, BBL104029, SBB092367, STL557843, AKOS005258031, GS-3972, SY016007, CS-0090881, 2-Chloro-5-fluorobenzotrifluoride, AldrichCPR, 1-Chloro-4-fluoro-2-(trifluoromethyl)-benzene

Application

1-Chloro-4-fluoro-2-(trifluoromethyl)benzene serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals, particularly for introducing trifluoromethyl groups into bioactive molecules. Its reactivity enables applications in Suzuki-Miyaura cross-coupling for agrochemical development. The compound is also employed in liquid crystal and polymer research, where its fluorine content enhances thermal and chemical resistance.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.