Description

4-Fluorophenylacetonitrile (CAS No. 459-22-3) is a high-purity organic compound with the molecular formula C₈H₆FN, widely utilized in pharmaceutical synthesis, agrochemical research, and advanced material development. This aromatic nitrile derivative features a fluorine substituent at the para position of the phenyl ring, enhancing its reactivity in nucleophilic substitution and coupling reactions. With a purity of ≥99%, our product is rigorously tested via GC, HPLC, and NMR to ensure consistency for critical applications. Packaged under inert conditions to prevent degradation, it is available in quantities ranging from grams to kilograms, tailored to both laboratory and industrial-scale needs. Ideal for use as an intermediate in the synthesis of fluorinated pharmaceuticals, liquid crystals, and specialty chemicals.

Properties

• CAS Number: 459-22-3
• Complexity: 139
• IUPAC Name: 2-(4-fluorophenyl)acetonitrile
• InChI: InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
• InChI Key: JHQBLYITVCBGTO-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: C1=CC(=CC=C1CC#N)F
• Topological: 23.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 4-Fluorophenylacetonitrile, 459-22-3, 4-Fluorobenzyl cyanide, Benzeneacetonitrile, 4-fluoro-, p-Fluorobenzyl cyanide, 4-Fluorobenzylcyanide, 4-Fluorobenzeneacetonitrile, p-Fluorophenylacetonitrile, Acetonitrile, (p-fluorophenyl)-, EINECS 207-286-8, NSC 60739, BRN 1907764, 554W6Z2TV5, NSC-60739, DTXSID8060030, P-FLUOROBENZENEACETONITRILE, 4-09-00-01673 (Beilstein Handbook Reference), DTXCID1040451, 207-286-8, 2-(4-fluorophenyl)acetonitrile, (p-Fluorophenyl)acetonitrile, MFCD00001917, (4-fluorophenyl)acetonitrile, 2-(4-fluorophenyl)ethanenitrile, 4-fluorophenyl acetonitrile, 4-Fluorophenyl-acetonitrile, para-Fluorophenylacetonitrile, 4-fluoro phenyl acetonitrile, 4-fluoro-phenyl-acetonitrile, SCHEMBL37742, UNII-554W6Z2TV5, SCHEMBL6761014, (4-Fluoro-phenyl)-acetonitrile, JHQBLYITVCBGTO-UHFFFAOYSA-, 4-Fluorophenylacetic acid nitrile, 4-Fluorophenylacetonitrile, 99%, 2-(4-fluoro-phenyl)-acetonitrile, BDBM113774, HMS1719G04, NSC60739, SBB063691, AKOS000200425, AB00175, CS-W020067, PS-9131, s12395, AC-26163, DB-028895, F0258, NS00043600, EN300-18725, A21996, 2‐(4‐fluorophenyl)acetonitrile (6), Z89283961, F0001-1242, (p-fluorophenyl)-acetonitril;4-Fluorophenylaceticacidnitrile, InChI=1/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

4-Fluorophenylacetonitrile serves as a versatile building block in medicinal chemistry, particularly in the synthesis of fluorinated analogs of bioactive molecules. It is employed in the preparation of CNS-targeting drugs and agrochemicals due to its ability to modulate metabolic stability. Researchers also utilize it in Suzuki-Miyaura cross-coupling reactions to create complex fluorinated architectures. Its compatibility with Grignard reagents and organolithium compounds makes it valuable for C-C bond formation.

Safety and Hazards

GHS Hazard Statements

• H302 (96.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (96.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (96.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (88.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (96.1%)
• Acute Tox. 4 (96.1%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (96.1%)
• STOT SE 3 (88.2%)

If you are interested or have any questions, please contact us at support@atomfair.com

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