Description

2-Bromo-4-(trifluoromethyl)phenylacetonitrile (CAS No. 474024-36-7) is a high-purity organic compound with the molecular formula C₉H₅BrF₃N. This specialized chemical is designed for advanced research and industrial applications, featuring a bromo-substituted phenyl ring and a trifluoromethyl group that enhance its reactivity and utility in synthetic chemistry. The compound is rigorously tested for quality, ensuring optimal performance in pharmaceutical, agrochemical, and material science research. Its IUPAC name, 2-[2-bromo-4-(trifluoromethyl)phenyl]acetonitrile, reflects its precise structural configuration. Available in various quantities, this product is ideal for researchers seeking reliable and consistent reagents for complex organic transformations.

Properties

• CAS Number: 474024-36-7
• Complexity: 242
• IUPAC Name: 2-[2-bromo-4-(trifluoromethyl)phenyl]acetonitrile
• InChI: InChI=1S/C9H5BrF3N/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-14/h1-2,5H,3H2
• InChI Key: RYUZTTSDBHOIAF-UHFFFAOYSA-N
• Exact Mass: 262.95575
• Molecular Formula: C9H5BrF3N
• Molecular Weight: 264.04
• SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)CC#N
• Topological: 23.8
• Monoisotopic Mass: 262.95575
• Synonyms: 2-Bromo-4-(trifluoromethyl)phenylacetonitrile, 474024-36-7, DTXSID00380930, DTXCID30331955, 2-[2-bromo-4-(trifluoromethyl)phenyl]acetonitrile, 2-(2-bromo-4-(trifluoromethyl)phenyl)acetonitrile, 2-Bromo-4-(trifluoromethyl)phenyl]acetonitrile, MFCD03094308, 2-[2-bromo-4-(trifluoromethyl)phenyl]ethanenitrile, SCHEMBL669965, CL9074, SBB064437, AKOS015890064, AC-4185, PS-7342, DB-003935, EN300-1932946, 2-Bromo-4-(trifluoromethyl)phenylacetonitrile, 97%

Application

2-Bromo-4-(trifluoromethyl)phenylacetonitrile is widely used as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Its unique structure makes it valuable for constructing trifluoromethyl-substituted aromatic compounds, which are prevalent in bioactive molecules. Researchers also employ it in cross-coupling reactions and as a precursor for heterocyclic compounds. The bromo and nitrile functionalities offer versatile reactivity for further derivatization, enabling the development of novel materials and ligands.

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