1-Bromo-1-fluoroethylene
Properties
- Molecular formula
- C2H2BrF
- Molar mass
- 124.94 g/mol
- Exact mass
- 123.9324 Da
- logP
- 1.82Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
420-25-7SMILES
C=C(F)BrInChIKey
LNKSRHHQKNUTLI-UHFFFAOYSA-NInChI
InChI=1S/C2H2BrF/c1-2(3)4/h1H2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.40 (dd, J = 1.4 Hz, J(H,F) = 20.0 Hz, 1H), 4.68 (dd, J = 1.4 Hz, J(H,F) = 20.0 Hz, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 134.8 (d, J(C,F) = 250.0 Hz), 90.6 (d, J(C,F) = 20.0 Hz).[M + H]+
[M + H]+ Calcd for C2H3BrF 124.9397[M + Na]+
[M + Na]+ Calcd for C2H2BrFNa 146.9216[M − H]−
[M − H]− Calcd for C2HBrF 122.9251Elemental analysis
Anal. Calcd for C2H2BrF: C, 19.23; H, 1.61.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 name
- 1-Bromo-1-fluoroethene
Work with 1-Bromo-1-fluoroethylene
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.