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420-90-6

420-90-6 Structure

420-90-6 Structure
IdentificationMore
[Name]

3-BROMO-3,3-DIFLUOROPROPENE
[CAS]

420-90-6
[Synonyms]

1-BROMO-1,1-DIFLUOROPROP-2-ENE
1-BROMO-1,1-DIFLUOROPROPENE
3,3-DIFLUORO-3-BROMOPROPENE
3-BROMO-3,3-DIFLUOROPRO-1-PENE
3-BROMO-3,3-DIFLUOROPROP-1-ENE
3-BROMO-3,3-DIFLUOROPROPENE
3-Bromo-3,3-difluoroprop-1-ene 98%
3-Bromo-3,3-difluoroprop-1-ene98%
1,1-Difluoroallyl bromide
1-Bromo-1,1-difluoro-2-propene
3,3-Difluoro-3-bromo-1-propene
3-Bromo-3,3-difluoro-1-propene
[EINECS(EC#)]

810-594-0
[Molecular Formula]

C3H3BrF2
[MDL Number]

MFCD00042185
[Molecular Weight]

156.96
[MOL File]

420-90-6.mol
Chemical PropertiesBack Directory
[Melting point ]

53-54°C
[Boiling point ]

41-42°C
[density ]

1,543 g/cm3
[refractive index ]

1.377
[storage temp. ]

Keep Cold
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Specific Gravity]

1.543
[InChI]

InChI=1S/C3H3BrF2/c1-2-3(4,5)6/h2H,1H2
[InChIKey]

GDDNTTHUKVNJRA-UHFFFAOYSA-N
[SMILES]

C=CC(Br)(F)F
[CAS DataBase Reference]

420-90-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT, KEEP COLD
[HS Code ]

2903793090
Hazard InformationBack Directory
[Uses]

3-Bromo-3,3-difluoropropene, when mixed with lithium bromide, provides a convenient route to prepare gem-(difluoroallyl) lithium, a reagent of general use in the formation of gem-difluorinated organic compounds. Umpolung asymmetric difluoroallylation of hydrazones with 3-bromo-3,3-difluoropropene (BDFP) under palladium catalysis. In addition, aldehydes and ketones reacted with 3-bromo-3,3-difluoropropene in the presence of the acid-washed zinc powder at 0°C to room temperature to afford gem-difluorohomoallyl alcohols in moderate yields[1-3].
[References]

[1] Shuai Huang. “Regio- and enantioselective umpolung gem-difluoroallylation of hydrazones via palladium catalysis enabled by N-heterocyclic carbene ligand.” Nature Communications 12 1 (2021): 6551.
[2] J.D. Langridge, S.A. Cooke, B.E. Long. “The microwave spectra, bromine nuclear electric quadrupole coupling tensor, and structure of 3-bromo-3,3-difluoropropene.” Journal of Molecular Structure 1000 1 (2011): Pages 24-28.
[3] M. Kirihara. “Indium-Mediated Reaction of 3-Bromo-3,3-difluoropropene and Bromodifluoromethylacetylene Derivatives with Aldehydes.” ChemInform 3 1 (2001).
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-3,3-DIFLUOROPROPENE(420-90-6)FT-IR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

3-Bromo-3,3-difluoropropene,>95.0%(GC)(420-90-6)
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