Description

6-Bromo-1,1,2-trifluorohex-1-ene (CAS No. 126828-29-3) is a high-purity fluorinated organic compound with the molecular formula C₆H₈BrF₃. This halogenated alkene is characterized by its unique trifluoro-substituted structure, making it a valuable intermediate in synthetic organic chemistry and materials science. Its precise molecular weight (205.03 g/mol) and well-defined reactivity profile ensure consistent performance in specialized applications. The compound is supplied as a clear, colorless to pale yellow liquid under standard conditions, with strict quality control to guarantee ≥95% purity (GC). Suitable for use in inert atmospheres due to potential sensitivity to moisture and oxygen, it is packaged in amber glass vials or sealed ampoules to maintain stability. Researchers utilize this compound for its ability to introduce fluorine and bromine functional groups in complex molecular architectures, enabling advancements in pharmaceuticals, agrochemicals, and advanced material design.

Properties

• CAS Number: 126828-29-3
• Complexity: 118
• IUPAC Name: 6-bromo-1,1,2-trifluoro-hex-1-ene
• InChI: InChI=1S/C6H8BrF3/c7-4-2-1-3-5(8)6(9)10/h1-4H2
• InChI Key: YSTVLPSZAHXMQI-UHFFFAOYSA-N
• Exact Mass: 215.97615
• Molecular Formula: C6H8BrF3
• Molecular Weight: 217.03
• SMILES: C(CCBr)CC(=C(F)F)F
• Monoisotopic Mass: 215.97615
• Synonyms: 6-bromo-1,1,2-trifluorohex-1-ene, 126828-29-3, DTXSID00371343, DTXCID20322377, 6-Bromo-1,1,2-trifluorohexene, 6-bromo-1,1,2-trifluoro-1-hexene, MFCD01075257, 1-Hexene,6-bromo-1,1,2-trifluoro-, C6H8BrF3, 1-Hexene, 6-bromo-1,1,2-trifluoro-, 6-bromo-1,1,2-trifluoro-hex-1-ene, SCHEMBL5095696, SBB095351, AKOS007930079, 5,6,6-Trifluorohex-5-en-1-yl bromide, DB-041842, CS-0334605, A805616

Application

6-Bromo-1,1,2-trifluorohex-1-ene serves as a versatile building block in the synthesis of fluorinated compounds, particularly in pharmaceutical research where trifluoromethyl groups enhance metabolic stability. It is employed in cross-coupling reactions (e.g., Suzuki-Miyaura) to construct complex fluorinated scaffolds for drug discovery. The compound also finds use in materials science for modifying polymer backbones to impart hydrophobicity and chemical resistance. Its dual functionality (bromine and fluorine) enables selective transformations in multi-step synthetic routes.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• 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, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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