Description

3-Bromo-3,3-difluoroprop-1-ene (CAS No. 420-90-6) is a highly reactive organobromine compound with the molecular formula C₃H₃BrF₂. This versatile fluorinated building block is widely used in organic synthesis, pharmaceuticals, and agrochemical research due to its unique reactivity profile. The compound features a bromine atom and two fluorine atoms attached to the same carbon, creating a highly polarized molecule ideal for nucleophilic substitution reactions. Our product is synthesized under strict quality control measures to ensure >98% purity (GC), with thorough characterization by GC-MS, ¹H NMR, and ¹⁹F NMR spectroscopy. Supplied in amber glass bottles under inert atmosphere to maintain stability, this reagent is particularly valuable for introducing difluoroalkyl groups into target molecules. Proper storage at 2-8°C in a dry environment is recommended to prevent decomposition.

Properties

• CAS Number: 420-90-6
• Complexity: 59.8
• IUPAC Name: 3-bromo-3,3-difluoro-prop-1-ene
• InChI: InChI=1S/C3H3BrF2/c1-2-3(4,5)6/h2H,1H2
• InChI Key: GDDNTTHUKVNJRA-UHFFFAOYSA-N
• Exact Mass: 155.93862
• Molecular Formula: C3H3BrF2
• Molecular Weight: 156.96
• SMILES: C=CC(F)(F)Br
• Monoisotopic Mass: 155.93862
• Synonyms: 3-Bromo-3,3-difluoropropene, 3-bromo-3,3-difluoroprop-1-ene, DTXSID60339267, DTXCID00290348, 805-396-6, 810-594-0, 420-90-6, 1-BROMO-1,1-DIFLUOROPROP-2-ENE, 3-Bromo-3,3-difluoro-1-propene, 3-bromo-3,3-difluoro-propene, MFCD00042185, Propene, 3-bromo-3,3-difluoro-, C3H3BrF2, 3,3-Difluoro-3-bromopropene, CH2=CHCF2Br, SCHEMBL2177, 3-bromo-3,3-difluorpropene, SCHEMBL244436, SBB087186, 1-Propene, 3-bromo-3,3-difluoro-, 3-Bromo-3,3-difluoro-1-propene #, AKOS005063316, MS-20273, SY031708, DB-001251, B2333, T70905

3-Bromo-3,3-difluoroprop-1-ene serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and bioactive compounds. It is particularly useful in palladium-catalyzed coupling reactions for creating carbon-carbon bonds in complex molecules. Researchers utilize this compound to introduce difluoromethylene groups into heterocyclic systems and other organic frameworks. The bromine moiety allows for further functionalization through cross-coupling or substitution reactions. In materials science, it finds application in modifying polymer properties through incorporation of fluorinated segments.

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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