Description

1-Bromo-2-chloro-1,1,2-trifluorooct-3-ene (CAS No. 30428-56-9) is a high-purity halogenated alkene with the molecular formula C₈H₁₁BrClF₃. This specialized fluorinated compound is designed for advanced synthetic applications, featuring a unique combination of bromo, chloro, and trifluoro functional groups on an octene backbone. Its precise structure (1-bromo-2-chloro-1,1,2-trifluorooct-3-ene) offers exceptional reactivity for nucleophilic substitutions and cross-coupling reactions. Ideal for pharmaceutical intermediates, agrochemical research, and material science, this compound is rigorously tested for consistency (≥95% purity by GC) and supplied in amber glass vials under inert atmosphere to ensure stability. Compatible with organometallic catalysis and fluorination workflows.

Properties

• CAS Number: 30428-56-9
• Complexity: 184
• IUPAC Name: 1-bromo-2-chloro-1,1,2-trifluoro-oct-3-ene
• InChI: InChI=1S/C8H11BrClF3/c1-2-3-4-5-6-7(10,11)8(9,12)13/h5-6H,2-4H2,1H3
• InChI Key: HBFAGZRUEZHODB-UHFFFAOYSA-N
• Exact Mass: 277.96848
• Molecular Formula: C8H11BrClF3
• Molecular Weight: 279.52
• SMILES: CCCCC=CC(C(F)(F)Br)(F)Cl
• Monoisotopic Mass: 277.96848
• Synonyms: 1-Bromo-2-chloro-1,1,2-trifluorooct-3-ene, 30428-56-9, 3-Octene, 1-bromo-2-chloro-1,1,2-trifluoro-, DTXSID00371227, A820369, 1-bromanyl-2-chloranyl-1,1,2-tris(fluoranyl)oct-3-ene

Application

This compound serves as a versatile building block in organofluorine chemistry, particularly for synthesizing fluorinated analogs of bioactive molecules. Its reactive halogen sites enable selective functionalization in drug discovery pipelines. Applications include use as a precursor for liquid crystal materials, specialty surfactants, and flame retardant additives. The trifluoro moiety enhances metabolic stability in medicinal chemistry applications.

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