Description

(2,5-Difluorophenyl)acetonitrile (CAS No. 69584-87-8) is a high-purity fluorinated organic compound with the molecular formula C₈H₅F₂N and IUPAC name 2-(2,5-difluorophenyl)acetonitrile. This versatile nitrile derivative features a benzene ring substituted with two fluorine atoms at the 2- and 5-positions, coupled with an acetonitrile functional group. It is a valuable intermediate in pharmaceutical synthesis, agrochemical production, and advanced material research. Our product is rigorously tested to ensure ≥98% purity (GC), with low levels of impurities and moisture content. Supplied as a clear to pale-yellow liquid, it is packaged under inert conditions to maintain stability. Ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for heterocyclic compounds.

Properties

• CAS Number: 69584-87-8
• Complexity: 172
• IUPAC Name: 2-(2,5-difluorophenyl)acetonitrile
• InChI: InChI=1S/C8H5F2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2
• InChI Key: UIMMFRUOZOWROM-UHFFFAOYSA-N
• Exact Mass: 153.03900549
• Molecular Formula: C8H5F2N
• Molecular Weight: 153.13
• SMILES: C1=CC(=C(C=C1F)CC#N)F
• Topological: 23.8
• Monoisotopic Mass: 153.03900549
• Synonyms: (2,5-Difluorophenyl)acetonitrile, Benzeneacetonitrile, 2,5-difluoro-, 2,5-Difluorobenzeneacetonitrile, EINECS 274-051-4, DTXSID40219851, DTXCID90142342, 274-051-4, uimmfruozowrom-uhfffaoysa-n, 69584-87-8, 2,5-Difluorophenylacetonitrile, 2-(2,5-difluorophenyl)acetonitrile, 2,5-Difluorobenzyl Cyanide, MFCD00009972, 2-(2,5-difluorophenyl)ethanenitrile, 2,5-Difluorophenylacetonitrile, 97%, (2,5-difluoro-phenyl)-acetonitrile, SCHEMBL1020440, 2,5-difluoro-phenylacetonitrile, T7BC2T9854, CK1023, SBB064050, AKOS005064089, FD63939, PS-8906, AC-24897, SY017787, DB-024216, D3442, NS00061620, ST50824387, EN300-1697939

Application

(2,5-Difluorophenyl)acetonitrile serves as a key building block in medicinal chemistry for the synthesis of fluorinated drug candidates, particularly in CNS-active compounds. It is employed in agrochemical research to develop novel pesticides and herbicides with enhanced activity. The compound is also utilized in materials science for creating specialty polymers and liquid crystals with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (93.6%): 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 (95.7%)
• Acute Tox. 4 (95.7%)
• Skin Irrit. 2 (95.7%)
• Eye Irrit. 2 (95.7%)
• Acute Tox. 4 (95.7%)
• STOT SE 3 (93.6%)

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