Description

(2,6-Difluorophenyl)acetonitrile (CAS No. 654-01-3) is a high-purity fluorinated organic compound with the molecular formula C₈H₅F₂N. This versatile intermediate features a benzene ring substituted with two fluorine atoms at the 2 and 6 positions, coupled with an acetonitrile functional group. With an IUPAC name of 2-(2,6-difluorophenyl)acetonitrile, this compound is characterized by its exceptional reactivity, making it invaluable in synthetic organic chemistry, pharmaceutical research, and agrochemical development. Available in >98% purity (GC), it is supplied in sealed containers under inert gas to ensure stability and longevity. Ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for heterocyclic synthesis.

Properties

• CAS Number: 654-01-3
• Complexity: 162
• IUPAC Name: 2-(2,6-difluorophenyl)acetonitrile
• InChI: InChI=1S/C8H5F2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
• InChI Key: GVAYBGQTAADLJS-UHFFFAOYSA-N
• Exact Mass: 153.03900549
• Molecular Formula: C8H5F2N
• Molecular Weight: 153.13
• SMILES: C1=CC(=C(C(=C1)F)CC#N)F
• Topological: 23.8
• Monoisotopic Mass: 153.03900549
• Synonyms: 654-01-3, (2,6-Difluorophenyl)acetonitrile, 2,6-DIFLUOROBENZENEACETONITRILE, EINECS 211-504-7, DTXSID50215708, DTXCID40138199, 211-504-7, 2,6-Difluorophenylacetonitrile, 2-(2,6-difluorophenyl)acetonitrile, 2,6-difluorobenzyl cyanide, Benzeneacetonitrile, 2,6-difluoro-, MFCD00009973, 2-(2,6-difluorophenyl)ethanenitrile, SCHEMBL1008876, 3,5-dichloro-4-fluronitrobenzene, (2,6-difluoro-phenyl)-acetonitrile, SBB006682, 2,6-Difluorophenylacetonitrile, 96%, 2-(2,6-difluorophenyl) acetonitrile, AKOS005257320, AC-9787, CS-W008404, PS-8908, SY017839, DB-024191, D4510, NS00042273, ST50824383, A21808, EN300-120372, Z1203161886

Application

(2,6-Difluorophenyl)acetonitrile is widely employed as a key building block in pharmaceutical synthesis, particularly for active pharmaceutical ingredients (APIs) with fluorinated aromatic motifs. It serves as a precursor for herbicides and fungicides in agrochemical research due to its electron-withdrawing fluorine substituents. Researchers also utilize this compound in material science for developing liquid crystals and specialty polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H226 (90%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (96%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (96%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (96%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (94%): 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 (90%)
• Acute Tox. 4 (96%)
• Acute Tox. 4 (96%)
• Skin Irrit. 2 (96%)
• Eye Irrit. 2 (96%)
• Acute Tox. 4 (96%)
• STOT SE 3 (94%)

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.