Description

Bromopentafluorobenzene (CAS No. 344-04-7) is a highly fluorinated aromatic compound with the molecular formula C₆BrF₅. This organobromine derivative, also known by its IUPAC name 1-bromo-2,3,4,5,6-pentafluorobenzene, features a benzene ring substituted with five fluorine atoms and one bromine atom, offering exceptional chemical stability and reactivity for advanced synthetic applications. Its high electron-withdrawing properties make it a valuable intermediate in pharmaceutical, agrochemical, and materials science research. Available in high purity grades (≥98%), this compound is supplied in secure, chemically resistant packaging to ensure stability and longevity. Ideal for nucleophilic aromatic substitution reactions, cross-coupling chemistry, and as a building block for liquid crystals or specialty polymers.

Properties

• CAS Number: 344-04-7
• Complexity: 150
• IUPAC Name: 1-bromo-2,3,4,5,6-pentafluoro-benzene
• InChI: InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
• InChI Key: XEKTVXADUPBFOA-UHFFFAOYSA-N
• Exact Mass: 245.91035
• Molecular Formula: C6BrF5
• Molecular Weight: 246.96
• SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)F
• Monoisotopic Mass: 245.91035
• Physical Description: Colorless liquid;
• Synonyms: BROMOPENTAFLUOROBENZENE, 1-Bromo-2,3,4,5,6-pentafluorobenzene, Pentafluorobromobenzene, Benzene, bromopentafluoro-, Bromoperfluorobenzene, Pentafluorophenyl bromide, benzene, 1-bromo-2,3,4,5,6-pentafluoro-, EINECS 206-449-0, NSC 21630, DTXSID3047136, UNII-S88219080S, NSC-21630, DTXCID1027136, S88219080S, Benzene, bromopentafluoro, Benzene, 1bromo2,3,4,5,6pentafluoro, 206-449-0, inchi=1/c6brf5/c7-1-2(8)4(10)6(12)5(11)3(1), xektvxadupbfoa-uhfffaoysa-n, 344-04-7, 2,3,4,5,6-Pentafluorobromobenzene, 2,3,4,5,6-bromopentafluorobenzene, C6BrF5, NSC21630, MFCD00000287, bromoperfluoro-benzene, bromo-pentafluorobenzene, bromopentafluoro-benzene, 1-Bromo-2,3,4,5,6-pentafluoro-benzene, C6F5Br, Bromopentafluorobenzene, 99%, SCHEMBL350227, CHEMBL1231233, Tox21_302507, SBB100189, AKOS003652412, CS-W008751, FB34671, NCGC00256664-01, CAS-344-04-7, DS-14218, 1-Bromo-2,3,4,5,6-pentafluorobenzene #, DB-048620, A6061, B1116, NS00008315, EN300-67419, D70199, Bromopentafluorobenzene, purum, >=97.0% (GC), Q27289044, BBF

Application

Bromopentafluorobenzene is widely used as a precursor in the synthesis of pentafluorophenyl derivatives for pharmaceutical and materials science applications. It serves as a key intermediate in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions. The compound is also employed in the development of liquid crystal materials and as a reagent for introducing pentafluorophenyl groups into complex molecules.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (96.2%): 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 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (96.2%)

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