Description

2-Fluoro-4-hydroxybenzonitrile (CAS No. 82380-18-5) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₄FNO. This fine chemical is characterized by its hydroxyl and nitrile functional groups attached to a fluorinated benzene ring, making it a versatile intermediate for organic synthesis and pharmaceutical research. With a molecular weight of 137.11 g/mol, it is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC). Suitable for use in cross-coupling reactions, heterocycle synthesis, and as a building block for agrochemicals or bioactive molecules. Store in a cool, dry place under inert conditions to ensure stability. Available in research quantities (100mg to 10kg) with optional custom packaging and purity specifications.

Properties

• CAS Number: 82380-18-5
• Complexity: 162
• IUPAC Name: 2-fluoro-4-hydroxy-benzonitrile
• InChI: InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
• InChI Key: REIVHYDACHXPNH-UHFFFAOYSA-N
• Exact Mass: 137.027691913
• Molecular Formula: C7H4FNO
• Molecular Weight: 137.11
• SMILES: C1=CC(=C(C=C1O)F)C#N
• Topological: 44
• Monoisotopic Mass: 137.027691913
• Synonyms: 2-Fluoro-4-hydroxybenzonitrile, 82380-18-5, DTXSID30370440, EC 422-810-7, DTXCID10321475, 422-810-7, 617-324-9, 4-Cyano-3-fluorophenol, 3-fluoro-4-cyanophenol, MFCD00192177, 4-Hydroxy-2-fluorobenzonitrile, 2-fluoro-4-hydroxybenzenecarbonitrile, 2-fluoro-4-benzonitrile, BENZONITRILE, 2-FLUORO-4-HYDROXY-, 2-fluoro-4-hydroxy-benzonitrile, 8H8, 4wh7, fluoro-4-hydroxybenzonitrile, 2-fluoro4-hydroxybenzonitrile, SCHEMBL176946, SCHEMBL4486770, SCHEMBL5189239, 4-hydroxy-2-fluoro-benzonitrile, 6-fluoro-4-hydroxy benzonitrile, 2-Fluoro-4-hydroxy benzonitrile, 2-FLUORO-4-HYDROXYBENZONITRILE (4-CYANO-3-FLUOROPHENOL), SBB059247, 2-Fluoro-4-hydroxybenzonitrile, 99%, AKOS005063965, AB04647, AC-4069, BH-0414, CS-W007999, DS-1517, FC34069, BP-20210, SY016474, DB-028062, DB-056663, F0462, NS00038195, ST51044337, EN300-73306, Q27456884, F9994-0496, Z1157728598, 3-FLUORO-4-HYDROXYBENZONITRILE (4-CYANO-2-FLUOROPHENOL), InChI=1/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10

Application

2-Fluoro-4-hydroxybenzonitrile serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly in the development of kinase inhibitors and antimicrobial agents. Its reactive nitrile and hydroxyl groups enable facile derivatization for heterocyclic compound libraries in medicinal chemistry. Researchers also utilize this compound in material science for designing liquid crystals and advanced polymer precursors. The fluorine atom enhances metabolic stability in drug discovery applications.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.7%)
• Eye Dam. 1 (95.5%)
• Aquatic Chronic 2 (95.5%)

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