chempirical

Bromoacetyl bromide

C2H2Br2OCAS 598-21-0201.84 g/mol

Open in Covalent MOL file
OBrBr
Acyl halideAlkyl halide

Properties

Molecular formula
C2H2Br2O
Molar mass
201.84 g/mol
Exact mass
199.8472 Da
Boiling point
148.5 °C
logP
1.30Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
598-21-0
SMILES
O=C(Br)CBr
InChIKey
LSTRKXWIZZZYAS-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Br2O/c3-1-2(4)5/h1H2

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Names and synonyms

5 names
  • Acetyl bromide, 2-bromo-
  • Acetyl bromide, bromo-
  • 2-Bromoacetyl bromide
  • Monobromoacetyl bromide
  • α-Bromoacetyl bromide

Work with Bromoacetyl 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

Propanoyl bromide598-22-145 % similar 1,4-Dibromo-2,3-butanedione6305-43-744 % similar 1,3-Dibromo-2-propanone816-39-744 % similar Bromoacetic anhydride13094-51-438 % similar Bromoacetyl chloride22118-09-838 % similar Bromoacetic acid79-08-338 % similar 1,4-Dibromo-2,3-bis(bromomethyl)-2-butene30432-16-735 % similar 1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)3785-34-035 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook