Description

Fluorobenzene (CAS No. 462-06-6) is an aromatic organic compound with the molecular formula C₆H₅F. This clear, colorless liquid exhibits a benzene-like odor and is widely utilized in organic synthesis, pharmaceuticals, and material science due to its stable aromatic ring structure and reactive fluorine substituent. With a boiling point of approximately 84-85°C and a melting point of -42°C, fluorobenzene serves as a versatile intermediate in the production of agrochemicals, dyes, and specialty polymers. Its high purity grade (≥99%) ensures optimal performance in research and industrial applications, including nucleophilic substitution reactions and as a solvent in spectroscopic studies. Packaged under inert gas to maintain stability, this compound is stored in amber glass bottles or sealed drums to prevent moisture absorption and degradation.

Properties

• CAS Number: 462-06-6
• Complexity: 46.1
• IUPAC Name: fluorobenzene
• InChI: InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
• InChI Key: PYLWMHQQBFSUBP-UHFFFAOYSA-N
• Exact Mass: 96.037528322
• Molecular Formula: C6H5F
• Molecular Weight: 96.10
• SMILES: C1=CC=C(C=C1)F
• Monoisotopic Mass: 96.037528322
• Physical Description: Fluorobenzene appears as a clear, colorless liquid with a characteristic aromatic odor. About the same density as water. Flash point 5 °F. Vapors heavier than air. May irritate the skin, eyes, and mucous membranes. Used as an insecticide, larvacide and as a reagent for plastic or resin polymers.
• Boiling Point: 185.2 °F at 760 mmHg
• Melting Point: -42.2 °F
• Flash Point: 5 °F
• Solubility: 1 to 10 mg/mL at 68 °F
• Density: 1.0225 at 68 °F – Denser than water; will sink
• Vapor Density: 3.31 – Heavier than air; will sink
• Vapor Pressure: 60 mmHg at 67.3 °F ; 100 mmHg at 86.7 °F
• Synonyms: FLUOROBENZENE, 462-06-6, Benzene, fluoro-, Monofluorobenzene, Phenyl fluoride, Fluorbenzol, EINECS 207-321-7, NSC 68416, CHEBI:5115, G3TSZ68K12, DTXSID4025329, AI3-28560, NSC-68416, FLUOROBENZENE [MI], DTXCID305329, EC 207-321-7, benzene, fluoro, 207-321-7, benzene fluoride, inchi=1/c6h5f/c7-6-4-2-1-3-5-6/h1-5, Fluorobenzenes, 4-fluorobenzene, fluoro-benzene, UN2387, MFCD00000280, C6H5F, UNII-G3TSZ68K12, Fluobenzene, fluoranylbenzene, p-fluorobenzene, 1-fluorobenzene, 3-fluorobenzene, Fluorobenzene, 99%, WLN: FR, Fluorobenzene [UN2387] [Flammable liquid], SCHEMBL2120, SCHEMBL4631, SCHEMBL8476, SCHEMBL12363, CHEMBL16070, SCHEMBL259448, SCHEMBL1426678, SCHEMBL1510109, SCHEMBL1510604, SCHEMBL2873164, SCHEMBL2878107, Fluorobenzene, analytical standard, NSC68416, Tox21_201054, STL268902, AKOS000120121, FF60033, UN 2387, Fluorobenzene 10 microg/mL in Methanol, Fluorobenzene 100 microg/mL in Methanol, MSK000514-1000M, NCGC00091679-01, NCGC00091679-02, NCGC00258607-01, CAS-462-06-6, DA-05689, Fluorobenzene 1000 microg/mL in Methanol, Fluorobenzene 2000 microg/mL in Methanol, F0034, NS00003135, EN300-19358, Fluorobenzene Solution in Methanol, 1000ug/mL, G77189, A827008, Q420820, F0001-1250

Application

Fluorobenzene is primarily employed as a precursor in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its stable aromatic structure makes it ideal for electrophilic substitution reactions, while the fluorine atom enhances reactivity in cross-coupling processes. Researchers also utilize it as a solvent in NMR spectroscopy due to its inertness and minimal interference with spectral analysis. In lithium-ion battery research, fluorobenzene derivatives contribute to improved electrolyte stability and high-temperature performance.

Safety and Hazards

GHS Hazard Statements

• H225 (99%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H318 (67%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (29.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H411 (57.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
• H412 (24.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P264+P265, P273, P280, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P337+P317, P370+P378, P391, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (99%)
• Eye Dam. 1 (67%)
• Eye Irrit. 2A (29.3%)
• Aquatic Chronic 2 (57.7%)
• Aquatic Chronic 3 (24.7%)

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