Description

3,5-Difluorophenylacetonitrile (CAS No. 122376-76-5) is a high-purity fluorinated organic compound with the molecular formula C₈H₅F₂N and IUPAC name 2-(3,5-difluorophenyl)acetonitrile. This specialized chemical is widely utilized in pharmaceutical research, agrochemical synthesis, and advanced material science due to its unique fluorinated aromatic structure. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a clear, colorless to pale yellow liquid with excellent batch-to-batch consistency. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. Available in research quantities from 1g to 1kg with custom bulk packaging options. SDS and analytical certificates are provided with every order.

Properties

• CAS Number: 122376-76-5
• Complexity: 162
• IUPAC Name: 2-(3,5-difluorophenyl)acetonitrile
• InChI: InChI=1S/C8H5F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
• InChI Key: OBMYMTSBABEPIB-UHFFFAOYSA-N
• Exact Mass: 153.03900549
• Molecular Formula: C8H5F2N
• Molecular Weight: 153.13
• SMILES: C1=C(C=C(C=C1F)F)CC#N
• Topological: 23.8
• Monoisotopic Mass: 153.03900549
• Synonyms: 3,5-Difluorophenylacetonitrile, 122376-76-5, DTXSID10333790, DTXCID20284880, 625-700-9, obmymtsbabepib-uhfffaoysa-n, 2-(3,5-difluorophenyl)acetonitrile, 3,5-Difluorobenzyl Cyanide, 3,5-Difluorobenzylcyanide, MFCD00061278, 2-(3,5-difluorophenyl)ethanenitrile, Benzeneacetonitrile, 3,5-difluoro-, 3,5 difluorophenylacetonitrile, SCHEMBL1019992, 3,5-difluoro-phenylacetonitrile, (3,5-difluorophenyl)-acetonitrile, SBB064299, 3,5-Difluorophenylacetonitrile, 98%, AKOS007930907, AC-4191, CS-W018079, DS-1563, PS-8905, SY017084, DB-023712, D3443, ST50824384, EN300-55008, F0001-0361, Z820119882

Application

3,5-Difluorophenylacetonitrile serves as a key building block in the synthesis of fluorinated pharmaceuticals, particularly in the development of CNS-active compounds and kinase inhibitors. The compound’s difluorophenyl moiety makes it valuable for creating analogs with enhanced metabolic stability and membrane permeability in drug discovery. In material science, it functions as a precursor for specialty polymers and liquid crystals with unique dielectric properties.

Safety and Hazards

GHS Hazard Statements

• H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (95.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (95.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (95.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (93.8%): 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 (95.8%)
• Acute Tox. 4 (95.8%)
• Skin Irrit. 2 (95.8%)
• Eye Irrit. 2 (95.8%)
• Acute Tox. 4 (95.8%)
• STOT SE 3 (93.8%)

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