chempirical

5-Bromovaleryl chloride

C5H8BrClOCAS 4509-90-4199.47 g/mol

Open in Covalent MOL file
OClBr
Acyl halideAlkyl halide

Properties

Molecular formula
C5H8BrClO
Molar mass
199.47 g/mol
Exact mass
197.9447 Da
Boiling point
103–105 °C (at 20 Torr)
logP
2.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
4509-90-4
SMILES
O=C(Cl)CCCCBr
InChIKey
OKRUMSWHDWKGHA-UHFFFAOYSA-N
InChI
InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2

Weigh it out

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

Names and synonyms

5 names
  • Pentanoyl chloride, 5-bromo-
  • Valeryl chloride, 5-bromo-
  • 5-Bromopentanoyl chloride
  • 5-Bromovaleric acid chloride
  • 5-Bromovaleroyl chloride

Work with 5-Bromovaleryl 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

6-Bromohexanoyl chloride22809-37-695 % similar 4-Bromobutanoyl chloride927-58-286 % similar Adipoyl chloride111-50-270 % similar 3-Bromopropanoyl chloride15486-96-168 % similar Suberoyl chloride10027-07-367 % similar Sebacoyl chloride111-19-367 % similar Azelaoyl chloride123-98-867 % similar Glutaryl chloride2873-74-762 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook