Description

(2E)-1-Bromo-1,1-difluorohept-2-ene (CAS No. 262296-38-8) is a high-purity fluorinated organic compound with the molecular formula C₇H₁₁BrF₂. This specialized reagent is designed for advanced synthetic chemistry applications, offering researchers a versatile building block for the introduction of difluoroalkyl and bromo functionalities. Its well-defined (E)-configuration ensures consistent reactivity in cross-coupling reactions, nucleophilic substitutions, and other transformations critical to pharmaceutical, agrochemical, and materials science research. Packaged under inert atmosphere to maintain stability, this compound is rigorously tested by GC/MS and NMR to meet the highest standards of purity (>95%). Ideal for method development in organofluorine chemistry, it is supplied with comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and FTIR spectra for verification.

Properties

• CAS Number: 262296-38-8
• Complexity: 110
• IUPAC Name: (E)-1-bromo-1,1-difluoro-hept-2-ene
• InChI: InChI=1S/C7H11BrF2/c1-2-3-4-5-6-7(8,9)10/h5-6H,2-4H2,1H3/b6-5+
• InChI Key: LQSFBLRBYQAEKS-AATRIKPKSA-N
• Exact Mass: 212.00122
• Molecular Formula: C7H11BrF2
• Molecular Weight: 213.06
• SMILES: CCCC/C=C/C(F)(F)Br
• Monoisotopic Mass: 212.00122
• Synonyms: 262296-38-8, (2E)-1-bromo-1,1-difluorohept-2-ene, DTXSID00420668, DTXCID90371514, 1-Bromo-1,1-difluoro-2-heptene, (E)-1-bromo-1,1-difluorohept-2-ene, e/z 1-bromo-1,1-difluorohept-2-ene, 1-bromo-1,1-difluorohept-2-ene, (E)-1-bromo-1,1-difluoro-2-heptene, MFCD00153694, 1-Bromo-1,1-difluoro-2-heptene (E/Z), LQSFBLRBYQAEKS-AATRIKPKSA-N, SBB094736, AKOS016015265, AKOS025310196

This compound serves as a key intermediate in the synthesis of fluorinated analogs of bioactive molecules, particularly in medicinal chemistry where difluoroalkene moieties enhance metabolic stability. It is employed in palladium-catalyzed cross-couplings to construct complex fluorinated architectures. The bromine moiety allows further functionalization via Suzuki or Heck reactions, while the difluoroalkene group acts as a peptide bond isostere in protease inhibitor development.

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 (100%): 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 (100%)

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