chempirical

Bromoacetyl chloride

C2H2BrClOCAS 22118-09-8157.39 g/mol

Open in Covalent MOL file
OClBr
Acyl halideAlkyl halide

Properties

Molecular formula
C2H2BrClO
Molar mass
157.39 g/mol
Exact mass
155.8978 Da
Density
1.914 g/mL (at 20 °C)
Boiling point
115–117 °C
logP
1.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
22118-09-8
SMILES
O=C(Cl)CBr
InChIKey
SYZRZLUNWVNNNV-UHFFFAOYSA-N
InChI
InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2

Weigh it out

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

Names and synonyms

5 names
  • Acetyl chloride, 2-bromo-
  • Acetyl chloride, bromo-
  • 2-Bromoacetyl chloride
  • NSC 97376
  • 2-Bromo-1-chloro-ethanal

Work with Bromoacetyl chloride

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-Bromopropanoyl chloride15486-96-152 % similar Malonyl chloride1663-67-850 % similar Succinyl chloride543-20-450 % similar 4-Bromobutanoyl chloride927-58-248 % similar 5-Bromovaleryl chloride4509-90-446 % similar Adipoyl chloride111-50-245 % similar Glutaryl chloride2873-74-745 % similar Chloroacetyl chloride79-04-945 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook