Description

2-Fluoro-4-(trifluoromethyl)phenylacetonitrile (CAS No. 239087-11-7) is a high-purity fluorinated organic compound with the molecular formula C₉H₅F₄N. This specialized chemical, also known by its IUPAC name 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile, is a valuable building block in pharmaceutical, agrochemical, and materials science research. The compound features a phenyl ring substituted with both fluorine and trifluoromethyl groups, enhancing its reactivity and potential for derivatization. Our product is rigorously tested to ensure ≥95% purity (HPLC/GC) and is supplied in sealed, light-resistant packaging under inert atmosphere to guarantee stability. Ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a precursor for heterocyclic synthesis. Available in quantities from 100mg to 10kg with custom synthesis options.

Properties

• CAS Number: 239087-11-7
• Complexity: 239
• IUPAC Name: 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile
• InChI: InChI=1S/C9H5F4N/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-14/h1-2,5H,3H2
• InChI Key: ZLGSJWMEAQTLFY-UHFFFAOYSA-N
• Exact Mass: 203.03581181
• Molecular Formula: C9H5F4N
• Molecular Weight: 203.14
• SMILES: C1=CC(=C(C=C1C(F)(F)F)F)CC#N
• Topological: 23.8
• Monoisotopic Mass: 203.03581181
• Synonyms: 2-Fluoro-4-(trifluoromethyl)phenylacetonitrile, 239087-11-7, 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile, 2-(2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE, MFCD00061179, 2-Fluoro-4-(trifluoromethyl)benzyl cyanide, 2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanenitrile, Benzeneacetonitrile, 2-fluoro-4-(trifluoromethyl)-, 4-(Cyanomethyl)-3-fluorobenzotrifluoride, 2-fluoro-4-(trifluoromethyl)-phenylacetonitrile, SCHEMBL195125, DTXSID50372168, SBB064377, AKOS005063984, AC-4194, AS-42744, SY003108, CS-0135246, ST51041528, 2-fluoro-4-(trifluoromethyl)phenyl acetonitrile, 2-Fluoro-4-trifluoromethyl-phenyl acetonitrile, EN300-1932432, [2-Fluoro-4-(trifluoromethyl)phenyl]acetonitrile, AldrichCPR

Application

This fluorinated phenylacetonitrile derivative serves as a key intermediate in the synthesis of bioactive molecules, particularly in the development of pharmaceuticals targeting CNS disorders and anti-inflammatory agents. Its unique electronic properties make it valuable for creating liquid crystal materials and organic semiconductors. The compound’s trifluoromethyl group enhances metabolic stability, making it particularly useful in medicinal chemistry programs.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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