Description

2,5-Difluorobenzonitrile (CAS No. 64248-64-2) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇H₃F₂N. This versatile intermediate is widely used in pharmaceutical, agrochemical, and materials science research due to its electron-withdrawing properties and reactivity. The compound features two fluorine atoms at the 2- and 5-positions of the benzonitrile ring, enhancing its utility in cross-coupling reactions and as a building block for heterocyclic synthesis. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Suitable for Suzuki-Miyaura couplings, nucleophilic aromatic substitutions, and as a precursor for liquid crystal materials.

Properties

• CAS Number: 64248-64-2
• Complexity: 160
• IUPAC Name: 2,5-difluorobenzonitrile
• InChI: InChI=1S/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
• InChI Key: OJTMHIMQUQOLJV-UHFFFAOYSA-N
• Exact Mass: 139.02335542
• Molecular Formula: C7H3F2N
• Molecular Weight: 139.10
• SMILES: C1=CC(=C(C=C1F)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 139.02335542
• Synonyms: 2,5-Difluorobenzonitrile, 64248-64-2, Benzonitrile, 2,5-difluoro-, EINECS 264-753-9, DTXSID20214465, DTXCID20136956, 264-753-9, ojtmhimquqoljv-uhfffaoysa-n, MFCD00001777, 2,5-difluorobenzenecarbonitrile, 2,5-Difluoro-Benzonitrile, 2,5-diflurobenzonitrile, 2,5 difluorobenzonitrile, KV4R6B8YXU, 2,5 -difluorobenzonitrile, SCHEMBL74807, SCHEMBL147827, SCHEMBL1601550, SCHEMBL25396428, 2,5-Difluorobenzonitrile, 99%, SBB064048, AKOS005762880, AC-4060, CS-W016483, PS-9077, SB74071, DB-024188, D1834, NS00052853, ST51016244, EN300-68294

Application

2,5-Difluorobenzonitrile serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for fluorinated drug candidates. It is employed in agrochemical research for developing novel herbicides and pesticides with enhanced bioavailability. The compound’s electron-deficient aromatic ring makes it valuable in materials science for designing organic semiconductors and liquid crystal displays (LCDs).

Safety and Hazards

GHS Hazard Statements

• H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (93.6%): 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 (93.6%): 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 (93.6%)
• Acute Tox. 4 (93.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (93.6%)
• 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.