Description

3-Fluoro-2-methylbenzotrifluoride (CAS No. 910911-43-2) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₆F₄. This specialty chemical is characterized by its unique trifluoromethyl and fluorine substituents on a methylated benzene ring, offering exceptional stability and reactivity for advanced synthetic applications. It is supplied as a clear, colorless to pale yellow liquid with a molecular weight of 178.13 g/mol and is ideal for use in pharmaceutical intermediates, agrochemical synthesis, and material science research. The compound is rigorously tested for quality (≥98% purity by GC) and is packaged under inert gas to ensure longevity. Compatible with standard laboratory handling protocols, it is available in quantities ranging from grams to multi-kilogram scales with custom packaging options upon request.

Properties

• CAS Number: 910911-43-2
• Complexity: 152
• IUPAC Name: 1-fluoro-2-methyl-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6F4/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3
• InChI Key: YUCGIKTVAIPINQ-UHFFFAOYSA-N
• Exact Mass: 178.04056284
• Molecular Formula: C8H6F4
• Molecular Weight: 178.13
• SMILES: CC1=C(C=CC=C1F)C(F)(F)F
• Monoisotopic Mass: 178.04056284
• Synonyms: 3-Fluoro-2-methylbenzotrifluoride, 910911-43-2, 1-fluoro-2-methyl-3-(trifluoromethyl)benzene, MFCD08062608, 3-fluoro-2-methyl-1-(trifluoromethyl)benzene, 2-Fluoro-6-(trifluoromethyl)toluene, SCHEMBL173020, SCHEMBL884999, SCHEMBL2286274, DTXSID80474669, OMRWCKKAHMMQNM-UHFFFAOYSA-N, YUCGIKTVAIPINQ-UHFFFAOYSA-N, 6-Fluoro-2-(trifluoromethyl)toluene, SBB089375, AKOS005255467, PS-8561, SY065162, DB-000604, CS-0194371, BENZENE,1-FLUORO-2-METHYL-3-(TRIFLUOROMETHYL)-

Application

3-Fluoro-2-methylbenzotrifluoride serves as a versatile building block in organic synthesis, particularly in the development of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing trifluoromethyl group enhances reactivity in cross-coupling reactions, making it valuable for creating bioactive molecules. The compound is also employed in material science for designing liquid crystals and specialty polymers with tailored thermal and chemical resistance. Researchers utilize it as a precursor in catalytic fluorination studies and as a standard in analytical method development for fluorinated compounds.

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