Description

2-Fluorobenzonitrile (CAS No. 394-47-8) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇H₄FN. This versatile organic intermediate is widely utilized in pharmaceutical synthesis, agrochemical production, and advanced material research. The compound features a fluorine substituent at the ortho position of the benzonitrile scaffold, offering unique electronic and steric properties for regioselective reactions. Our product is rigorously tested to ensure ≥98% purity (GC), with stringent controls for moisture and heavy metal content. Supplied in amber glass bottles under inert gas to ensure stability, this reagent is ideal for nucleophilic substitution, cross-coupling reactions, and as a building block for fluorinated heterocycles. Technical specifications include: molecular weight 121.11 g/mol, density 1.18 g/cm³, boiling point 205-207°C, and refractive index n_D²⁰ 1.520-1.524. SDS and COA available upon request.

Properties

• CAS Number: 394-47-8
• Complexity: 135
• IUPAC Name: 2-fluorobenzonitrile
• InChI: InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
• InChI Key: GDHXJNRAJRCGMX-UHFFFAOYSA-N
• Exact Mass: 121.032777294
• Molecular Formula: C7H4FN
• Molecular Weight: 121.11
• SMILES: C1=CC=C(C(=C1)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 121.032777294
• Synonyms: 2-Fluorobenzonitrile, Benzonitrile, 2-fluoro-, EINECS 206-897-7, NSC 88278, DTXSID6059942, 2-FLUORO-BENZOIC ACID-NITRILE, DTXCID1039630, 206-897-7, gdhxjnrajrcgmx-uhfffaoysa-n, inchi=1/c7h4fn/c8-7-4-2-1-3-6(7)5-9/h1-4, 394-47-8, o-Fluorobenzonitrile, o-Cyanofluorobenzene, Benzonitrile, o-fluoro-, 2-fluorobenzenenitrile, MFCD00001773, fluorobenzonitrile, 2-fluorobenzenecarbonitrile, C2EJ9H4G6R, NSC-88278, 2-Cyanofluorobenzene, 2-FLUOROBENZONITRIL, 2-fluorbenzonitrile, 2-fluorobezonitrile, 2-flurobenzonitrile, 2,6-Dimethyl-4-hydroxypiperidine; 2,6-Dimethyl-piperidin-4-ol; 2,6-Lupetidin-4-ol; 4-Hydroxy-2,6-dimethylpiperidine, NSC88278, 2-fluorocyanobenzene, 2-fluoro benzonitrile, 2-fluoro-benzonitrile, UNII-C2EJ9H4G6R, 2-Fluorobenzonitrile, 98%, NCIOpen2_001363, SCHEMBL27377, SCHEMBL100446, SCHEMBL191700, SCHEMBL349000, SCHEMBL350376, SBB063132, STK801407, AKOS001171792, AC-2971, CS-W013567, FF23418, PS-9225, BP-11233, DB-013235, F0220, NS00043188, EN300-15277, Z57899716, F0001-1108, 2-Cyanofluorobenzene;2-Fluorocyanobenzene;o-Cyanofluorobenzene

Application

2-Fluorobenzonitrile serves as a key precursor in the synthesis of fluorinated pharmaceuticals, particularly for angiotensin II receptor antagonists. The compound’s electron-withdrawing cyano group facilitates palladium-catalyzed cross-coupling reactions in drug discovery. In material science, it acts as a monomer for specialty polymers with enhanced thermal stability. The ortho-fluorine substitution pattern makes it valuable for developing liquid crystal materials and agrochemical intermediates.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (81.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (18.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.9%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (81.6%)
• Eye Irrit. 2 (18.4%)
• STOT SE 3 (95.9%)

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