Description

2,6-Difluorobenzonitrile (CAS No. 1897-52-5) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇H₃F₂N. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and agrochemical development due to its unique reactivity and stability. The compound features two fluorine atoms at the ortho positions of the benzonitrile ring, enhancing its electron-withdrawing properties and making it an excellent building block for cross-coupling reactions, nucleophilic substitutions, and other functionalizations.

Our 2,6-Difluorobenzonitrile is rigorously tested to ensure ≥98% purity (GC), with stringent quality control to minimize impurities. It is supplied in secure, chemically resistant packaging under inert conditions to maintain stability. Suitable for use in HPLC, NMR, and LC-MS applications, this product is ideal for researchers requiring precise and reproducible results in synthetic chemistry, medicinal chemistry, and material science.

Properties

• CAS Number: 1897-52-5
• Complexity: 150
• IUPAC Name: 2,6-difluorobenzonitrile
• InChI: InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
• InChI Key: BNBRIFIJRKJGEI-UHFFFAOYSA-N
• Exact Mass: 139.02335542
• Molecular Formula: C7H3F2N
• Molecular Weight: 139.10
• SMILES: C1=CC(=C(C(=C1)F)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 139.02335542
• Physical Description: Dry Powder
• Synonyms: 2,6-Difluorobenzonitrile, 1897-52-5, Benzonitrile, 2,6-difluoro-, DTXSID5044609, 1J58Z42A2E, EINECS 217-589-7, DTXCID3024609, EC 217-589-7, Benzonitrile, 2,6difluoro, 217-589-7, 2,6-Difluoro-benzonitrile, MFCD00001778, 2,6-difluorobenzenecarbonitrile, 2,6-Difluro benzonitrile, UNII-1J58Z42A2E, 2,6 difluorobenzonitrile, 2,6-Difluerobenzonitrile, SCHEMBL186269, SCHEMBL1181748, CHEMBL3185302, SCHEMBL14720046, 2,6-Difluorobenzonitrile, 97%, Benzonitrile, 2,?6-?difluoro-, BNBRIFIJRKJGEI-UHFFFAOYSA-, Tox21_302519, SBB064645, STK802612, AKOS000119992, CS-W016481, FD37648, PS-9074, NCGC00256626-01, AC-10723, BP-12716, CAS-1897-52-5, DB-030807, D1650, NS00008392, ST51016233, EN300-20037, Q27252485, F0001-0683, Z104476532, InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Application

2,6-Difluorobenzonitrile serves as a key intermediate in the synthesis of pharmaceuticals, including kinase inhibitors and antifungal agents. Its electron-deficient aromatic ring makes it valuable in Pd-catalyzed cross-coupling reactions for constructing complex heterocycles. The compound is also used in agrochemical research to develop novel pesticides and herbicides.

Safety and Hazards

GHS Hazard Statements

• H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (70.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (40.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (40.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (69.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (38.7%): 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 (97.5%)
• Acute Tox. 4 (70.6%)
• Skin Irrit. 2 (40.3%)
• Eye Irrit. 2 (40.3%)
• Acute Tox. 4 (69.7%)
• STOT SE 3 (38.7%)

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