chempirical

4-Bromobutanoyl chloride

C4H6BrClOCAS 927-58-2185.44 g/mol

Open in Covalent MOL file
OClBr
Acyl halideAlkyl halide

Properties

Molecular formula
C4H6BrClO
Molar mass
185.44 g/mol
Exact mass
183.9291 Da
Boiling point
101 °C (at 37 Torr)
logP
1.93Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
927-58-2
SMILES
O=C(Cl)CCCBr
InChIKey
LRTRXDSAJLSRTG-UHFFFAOYSA-N
InChI
InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2

Weigh it out

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

Names and synonyms

7 names
  • Butanoyl chloride, 4-bromo-
  • Butyryl chloride, 4-bromo-
  • γ-Bromobutyryl chloride
  • 4-Bromobutyryl chloride
  • 4-Bromobutanoic acid chloride
  • ω-Bromobutanoyl chloride
  • 4-Bromobutyroylic chloride

Work with 4-Bromobutanoyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromovaleryl chloride4509-90-486 % similar 6-Bromohexanoyl chloride22809-37-682 % similar 3-Bromopropanoyl chloride15486-96-171 % similar Adipoyl chloride111-50-265 % similar Glutaryl chloride2873-74-765 % similar Suberoyl chloride10027-07-362 % similar Sebacoyl chloride111-19-362 % similar Azelaoyl chloride123-98-862 % similar

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

Elsewhere

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