chempirical

6-Bromohexan-2-one

C6H11BrOCAS 10226-29-6179.06 g/mol

Open in Covalent MOL file
OBr
Alkyl halideKetone

Properties

Molecular formula
C6H11BrO
Molar mass
179.06 g/mol
Exact mass
177.9993 Da
Density
1.33 g/mL (at 20 °C)
Boiling point
216 °C
logP
2.14Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
10226-29-6
SMILES
CC(=O)CCCCBr
InChIKey
CZGOECYPTLSLNI-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrO/c1-6(8)4-2-3-5-7/h2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 6-Bromo-2-hexanone
  • 2-Hexanone, 6-bromo-
  • 1-Bromo-5-hexanone
  • 5-Oxohexyl bromide

Work with 6-Bromohexan-2-one

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

2,15-Hexadecanedione18650-13-067 % similar 2-Heptanone110-43-056 % similar 6-Chlorohexan-2-one10226-30-954 % similar 2-Octanone111-13-754 % similar 2-Undecanone112-12-954 % similar 2-Tetradecanone2345-27-954 % similar 2-Pentadecanone2345-28-054 % similar 2-Tridecanone593-08-854 % similar

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

Same formula

4-Bromomethyltetrahydropyran125552-89-8 2-(Bromomethyl)tetrahydro-2H-pyran34723-82-5 Bromopinacolone5469-26-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook