Description

4-Fluorobenzonitrile (CAS No. 1194-02-1) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇H₄FN. This versatile organic intermediate features a fluorine substituent at the para position of the benzonitrile ring, offering excellent reactivity for nucleophilic substitution and cross-coupling reactions. Our product is rigorously tested to meet ≥99% purity standards by HPLC/GC analysis, ensuring optimal performance in pharmaceutical synthesis, agrochemical production, and advanced material research. Supplied as white to off-white crystalline powder with characteristic aromatic odor, it is packaged under inert atmosphere to guarantee stability. Technical specifications include: molecular weight 121.11 g/mol, melting point 32-34°C, boiling point 205-207°C, and density 1.14 g/cm³. Store in cool, dry conditions (2-8°C) with desiccant. Available in research (5g-100g), pilot (250g-1kg), and bulk (5kg+) quantities with optional custom purity profiles and isotopic labeling (e.g., ¹³C, ¹⁵N).

Properties

• CAS Number: 1194-02-1
• Complexity: 127
• IUPAC Name: 4-fluorobenzonitrile
• InChI: InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
• InChI Key: AEKVBBNGWBBYLL-UHFFFAOYSA-N
• Exact Mass: 121.032777294
• Molecular Formula: C7H4FN
• Molecular Weight: 121.11
• SMILES: C1=CC(=CC=C1C#N)F
• Topological: 23.8
• Monoisotopic Mass: 121.032777294
• Synonyms: 4-Fluorobenzonitrile, Benzonitrile, 4-fluoro-, 4-CYANOFLUOROBENZENE, 4-fluorocyanobenzene, EINECS 214-784-9, 4VJG35CQV3, NSC 88330, NSC-88330, DTXSID6061600, 4-FLUORO-BENZOIC ACID-NITRILE, DTXCID4033502, 214-784-9, aekvbbngwbbyll-uhfffaoysa-n, inchi=1/c7h4fn/c8-7-3-1-6(5-9)2-4-7/h1-4, 1194-02-1, p-Fluorobenzonitrile, p-Cyanofluorobenzene, BENZONITRILE, p-FLUORO-, 143234-87-1, 4-fluoro-benzonitrile, MFCD00001812, 4-fluorobenzenecarbonitrile, 4-FLUOROBENZONITRIL, 4fluorobenzonitrile, 4-fluorobenznitrile, 4-luorobenzonitrile, 4-Fluorobenzonitile, NSC88330, 4-cyano fluorobenzene, 4-fluoro benzonitrile, 4-fluorobenzo-nitrile, para-fluorobenzonitrile, 1-fluoro-4-cyanobenzene, 4-monofluorobenzene nitrile, UNII-4VJG35CQV3, 4-Fluorobenzonitrile, 99%, NCIOpen2_001282, SCHEMBL39936, SCHEMBL271776, SCHEMBL350177, CHEMBL3248213, CHEBI:194793, CS-D1694, SBB059276, STK802611, AKOS000121499, PS-9223, DB-000373, F0221, NS00042386, ST51035511, EN300-16533, F0001-0320

4-Fluorobenzonitrile serves as a key building block in Suzuki-Miyaura couplings for pharmaceutical intermediates. The electron-withdrawing nature of both cyano and fluoro groups makes it valuable in liquid crystal synthesis. Researchers utilize it as a precursor for fluorinated heterocycles in medicinal chemistry programs. Its unique reactivity profile enables efficient transformations to amides, acids, and tetrazoles under mild conditions.

Safety and Hazards

GHS Hazard Statements

• H228 (13.6%): Flammable solid [Danger Flammable solids]
• H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (96.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (16.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (16.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (89.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (15.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Sol. 1 (13.6%)
• Acute Tox. 4 (96.6%)
• Acute Tox. 4 (96.6%)
• Skin Irrit. 2 (16.9%)
• Eye Irrit. 2 (16.9%)
• Acute Tox. 4 (89.8%)
• STOT SE 3 (15.3%)

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