chempirical

2-Bromopropionyl bromide

C3H4Br2OCAS 563-76-8215.87 g/mol

Open in Covalent MOL file
BrOBr
Acyl halideAlkyl halide

Properties

Molecular formula
C3H4Br2O
Molar mass
215.87 g/mol
Exact mass
213.8629 Da
Boiling point
153–155 °C
logP
1.69Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
563-76-8
SMILES
CC(Br)C(=O)Br
InChIKey
ILLHORFDXDLILE-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Propanoyl bromide, 2-bromo-
  • Propionyl bromide, 2-bromo-
  • 2-Bromopropanoyl bromide
  • α-Bromopropionyl bromide
  • α-Bromopropanyl bromide
  • DL-2-Bromopropionyl bromide
  • (±)-2-Bromopropanoyl bromide
  • 2-Bromoisopropionyl chloride

Work with 2-Bromopropionyl bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-2-butanone814-75-548 % similar (R)-(+)-2-Bromopropionic acid10009-70-846 % similar (2S)-2-Bromopropanoic acid32644-15-846 % similar 2-Bromopropionic acid598-72-146 % similar 2-Bromopropanoyl chloride7148-74-546 % similar 2-Bromobutanoyl bromide26074-52-242 % similar Methyl 2-bromopropanoate5445-17-042 % similar 3-Bromo-1,1,1-trifluoro-2-butanone382-01-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dibromo-2-propanone816-39-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook