1-(2-bromo-1,1,2,2-tetrafluoroethyl)-1H-imidazole
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Basic information
- CAS
900534-71-6- Standard SMILES
FC(F)(Br)C(F)(F)n1ccnc1- InChIKey
WHWVFYIPMIWMMK-UHFFFAOYSA-N- Molecular formula
- C5H3BrF4N2
- Average molar mass
- 246.99 g/mol
- Monoisotopic mass
- 245.94157
Names & identifiers
- Preferred name
- 1-(2-bromo-1,1,2,2-tetrafluoroethyl)-1H-imidazole
- IUPAC
- 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole
- English name
- 1H-Imidazole, 1-(2-bromo-1,1,2,2-tetrafluoroethyl)-
- Molecular formula
- C5H3BrF4N2
- Molecular weight
- 246.99
Names & synonyms
1-(2-bromo-1,1,2,2-tetrafluoroethyl)-1H-imidazole900534-71-6MFCD316185191-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazoleImidazolyltetrafluorobromoethaneorb2645494SCHEMBL19229972WHWVFYIPMIWMMK-UHFFFAOYSA-NDTXSID801023057AKOS037652308CS-7020E89300
Show more names
1-(2-bromo-1,1,2,2-tetrafluoro-ethyl)imidazoleF5444611-(1,1,2,2-tetrafluoro-2-bromoethyl)-1H-imidazole1H-Imidazole, 1-(2-bromo-1,1,2,2-tetrafluoroethyl)-
Database identifiers
- CAS
900534-71-6- PubChem CID
- 125478160
- DTXSID
DTXSID801023057
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 18 · 18-19 °C(Solv: water (7732-18-5))
- Boiling point
- 71 · 71-72 °C(Press: 20 Torr)
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- form
- liquid
- pka
- 3.43 · 3.43±0.10(Predicted)
- InChI
- 1S/C5H3BrF4N2/c6-4(7,8)5(9,10)12-2-1-11-3-12/h1-3H
- InChIKey
- WHWVFYIPMIWMMK-UHFFFAOYSA-N
- SMILES
- FC(F)(Br)C(F)(F)[n]1cncc1
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · WGK 3
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesImidazolyltetrafluorobromoethane is a fluoroalkylbromide that is a radical source of the imidazolyltetrafluoroethyl moiety. Alternatively, it can also be selectively metallated at the fluorinated carbon with Turbo Grignard reagent at low temperatures resulting in a thermally unstable anion that can act as a nucleophilic fluoroalkylation reagent towards a wide variety of electrophiles, such as aldehydes, ketones or sulfonylimines.
Related reactions
0 records
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Compound notes
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