Description

Pentafluorobenzene (C₆HF₅) is a high-purity fluorinated aromatic compound with the IUPAC name 1,2,3,4,5-pentafluorobenzene (CAS No. 363-72-4). This colorless to pale-yellow liquid is characterized by its exceptional thermal and chemical stability, making it a valuable reagent in advanced synthetic and analytical applications. With a molecular formula of C₆HF₅, it features a benzene ring fully substituted with five fluorine atoms, enhancing its electron-withdrawing properties and reactivity in electrophilic substitution reactions. Pentafluorobenzene is widely utilized as a precursor in pharmaceuticals, agrochemicals, and materials science, particularly in the synthesis of liquid crystals, polymers, and specialty chemicals. Its low nucleophilicity and high volatility also make it ideal for gas chromatography (GC) as a reference standard or derivatization agent. Packaged under inert gas to ensure stability, our product meets rigorous purity standards (≥98%) for research and industrial use.

Properties

• CAS Number: 363-72-4
• Complexity: 125
• IUPAC Name: 1,2,3,4,5-pentafluorobenzene
• InChI: InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
• InChI Key: WACNXHCZHTVBJM-UHFFFAOYSA-N
• Exact Mass: 167.99984084
• Molecular Formula: C6HF5
• Molecular Weight: 168.06
• SMILES: C1=C(C(=C(C(=C1F)F)F)F)F
• Monoisotopic Mass: 167.99984084
• Physical Description: Colorless liquid;
• Vapor Pressure: 67.6 [mmHg]
• Synonyms: PENTAFLUOROBENZENE, 363-72-4, 1,2,3,4,5-Pentafluorobenzene, Benzene, pentafluoro-, EINECS 206-658-7, IH36LU53XS, Benzene, 1,2,3,4,5-pentafluoro-, NSC 88293, NSC-88293, DTXSID8059893, 363-88-2, Benzene, pentafluoro, DTXCID4039154, Benzene, 1,2,3,4,5pentafluoro, 206-658-7, 690-865-6, 1,2,3,4,5-pentafluoro-benzene, C6HF5, UNII-IH36LU53XS, NSC88293, MFCD00000286, Pentafluorobenzene, 98%, SCHEMBL1383, C6F5H, SCHEMBL41646, 1,3,4,5-Pentafluorobenzene, WACNXHCZHTVBJM-UHFFFAOYSA-, SBB088132, AKOS000120026, LS-13111, DB-048953, A6291, CS-0157880, NS00020513, P0923, ST50828008, EN300-20344, Q1265485, InChI=1/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H, F5B

Application

Pentafluorobenzene is extensively used as a building block in organic synthesis, particularly for introducing pentafluorophenyl groups into target molecules. It serves as a key intermediate in the production of pharmaceuticals, agrochemicals, and advanced materials such as liquid crystals and high-performance polymers. In analytical chemistry, it is employed as a volatile internal standard or derivatization agent in GC-MS due to its distinct mass spectral signature. Additionally, its electron-deficient aromatic ring makes it useful in catalysis and ligand design for transition metal complexes.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (91.7%)
• Acute Tox. 4 (83.3%)

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