Description

2-(2-Fluorophenyl)acetonitrile (CAS No. 326-62-5) is a high-purity fluorinated organic compound with the molecular formula C₈H₆FN. This aromatic nitrile derivative features a fluorine substituent at the ortho position of the phenyl ring, enhancing its reactivity and utility in synthetic chemistry applications. The compound is supplied as a clear to pale-yellow liquid with a characteristic aromatic odor, suitable for use in research, pharmaceutical intermediates, and fine chemical synthesis. Its high chemical stability and compatibility with various reaction conditions make it a valuable building block for the preparation of fluorinated heterocycles, agrochemicals, and bioactive molecules. Store in a cool, dry place under inert conditions to ensure prolonged shelf life.

Properties

• CAS Number: 326-62-5
• Complexity: 147
• IUPAC Name: 2-(2-fluorophenyl)acetonitrile
• InChI: InChI=1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
• InChI Key: DAVJMKMVLKOQQC-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: C1=CC=C(C(=C1)CC#N)F
• Topological: 23.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 2-Fluorophenylacetonitrile, 326-62-5, Benzeneacetonitrile, 2-fluoro-, o-Fluorophenylacetonitrile, o-Fluorobenzyl cyanide, Acetonitrile, (o-fluorophenyl)-, 2-FLUOROBENZENEACETONITRILE, EINECS 206-313-0, NSC 88280, DTXSID1059810, DTXCID0038540, 206-313-0, inchi=1/c8h6fn/c9-8-4-2-1-3-7(8)5-6-10/h1-4h,5h, 2-Fluorobenzyl cyanide, 2-(2-fluorophenyl)acetonitrile, (2-fluorophenyl)acetonitrile, MFCD00001897, 2-(2-fluorophenyl)ethanenitrile, NCIOpen2_001403, (2-fluorophenyl)-acetonitrile, SCHEMBL103401, (2-fluoro-phenyl)-acetonitrile, SCHEMBL1476761, SCHEMBL5415180, SCHEMBL21356607, 2-Fluorophenylacetonitrile, 97%, NSC88280, NSC-88280, SBB063693, STL169028, AKOS000199190, AB00172, CS-W013356, PS-9130, s12370, AC-26164, DB-023895, F0257, NS00041839, ST51016235, EN300-20200, A22012, Z104477228, 2-Fluorobenzyl cyanide;Acetonitrile, (o-fluorophenyl)-;o-Fluorobenzyl cyanide

Application

2-(2-Fluorophenyl)acetonitrile is widely employed as a key intermediate in the synthesis of fluorinated pharmaceuticals, including CNS-active compounds and enzyme inhibitors. Its reactivity as a nitrile precursor enables its use in the preparation of carboxylic acids, amides, and heterocyclic scaffolds via hydrolysis or cyclization reactions. Researchers also utilize this compound in the development of agrochemicals and specialty materials requiring fluorinated aromatic motifs.

Safety and Hazards

GHS Hazard Statements

• H226 (10.6%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (10.6%)
• Acute Tox. 4 (97.9%)
• Acute Tox. 4 (97.9%)
• Skin Irrit. 2 (97.9%)
• Eye Irrit. 2 (97.9%)
• Acute Tox. 4 (97.9%)
• STOT SE 3 (87.2%)

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