Description

Chloropentafluorobenzene (CAS No. 344-07-0) is a high-purity fluorinated aromatic compound with the molecular formula C₆ClF₅, also known by its IUPAC name 1-chloro-2,3,4,5,6-pentafluorobenzene. This specialty chemical is characterized by its exceptional stability, low reactivity, and unique electronic properties due to the presence of five fluorine atoms and one chlorine substituent on the benzene ring. It is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor, and is packaged under inert conditions to ensure maximum purity and shelf life. With a boiling point of approximately 137-139°C and a density of 1.63 g/cm³, it is soluble in organic solvents such as ether, acetone, and chloroform but insoluble in water. Chloropentafluorobenzene is widely utilized as a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and advanced materials. Its high electron-withdrawing capacity makes it valuable in cross-coupling reactions, nucleophilic aromatic substitutions, and as a precursor for pentafluorophenyl derivatives. Suitable for research and industrial applications, this compound is handled with care in well-ventilated areas due to its potential volatility. Each batch is rigorously tested via GC-MS, NMR, and HPLC to ensure >98% purity, with detailed certificates of analysis available upon request.

Properties

• CAS Number: 344-07-0
• Complexity: 150
• IUPAC Name: 1-chloro-2,3,4,5,6-pentafluoro-benzene
• InChI: InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
• InChI Key: KGCDGLXSBHJAHZ-UHFFFAOYSA-N
• Exact Mass: 201.9608685
• Molecular Formula: C6ClF5
• Molecular Weight: 202.51
• SMILES: C1(=C(C(=C(C(=C1F)F)Cl)F)F)F
• Monoisotopic Mass: 201.9608685
• Synonyms: CHLOROPENTAFLUOROBENZENE, Pentafluorochlorobenzene, 1-Chloro-2,3,4,5,6-pentafluorobenzene, Benzene, chloropentafluoro-, Pentafluorophenyl chloride, Chloroperfluorobenzene, CCRIS 2394, EINECS 206-450-6, NSC 96886, 3D8A2YE2U8, NSC-96886, Benzene, chloro pentafluoro-, DTXSID4059837, Benzene, 1-chloro-2,3,4,5,6-pentafluoro-, PENTAFLUORO-1-CHLOROBENZENE, DTXCID4038841, 206-450-6, kgcdglxsbhjahz-uhfffaoysa-n, 344-07-0, C6ClF5, MFCD00000534, 1-chloro-2,3,4,5,6-pentafluoro-benzene, pentafluorophenylchloride, UNII-3D8A2YE2U8, Chloropentafluorobenzene, 99%, SCHEMBL219009, SCHEMBL7214722, NSC96886, BBL027298, SBB092993, STK802037, AKOS005622682, FC36507, FS-4016, 1,2,3,4,5-Pentafluoro-6-chlorobenzene, DB-048621, 1-Chloro-2,3,4,5,6-pentafluorobenzene #, CS-0121203, NS00042327, P0850, EN300-19366, D92026, 1-chloranyl-2,3,4,5,6-pentakis(fluoranyl)benzene, Q26840781, Z104473642

Application

Chloropentafluorobenzene is a key intermediate in the synthesis of pentafluorophenyl-containing compounds, widely used in pharmaceutical and agrochemical development. It serves as a precursor for Suzuki-Miyaura and other cross-coupling reactions to create complex fluorinated aromatic systems. The compound is also employed in materials science for modifying surface properties and designing liquid crystals or polymers with enhanced thermal and chemical resistance. Additionally, its electron-deficient nature makes it valuable in catalysis and as a derivatization agent in analytical chemistry.

Safety and Hazards

GHS Hazard Statements

• H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (95.2%)
• Eye Irrit. 2 (95.2%)
• STOT SE 3 (95.2%)

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