chempirical

1-Bromodecane

C10H21BrCAS 112-29-8221.18 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C10H21Br
Molar mass
221.18 g/mol
Exact mass
220.0827 Da
Density
1.0683 g/mL (at 20 °C)
Melting point
−29.2 °C
Boiling point
240.6 °C
logP
4.52Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Identifiers

CAS number
112-29-8
SMILES
CCCCCCCCCCBr
InChIKey
MYMSJFSOOQERIO-UHFFFAOYSA-N
InChI
InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Decane, 1-bromo-
  • Decyl bromide
  • n-Decyl bromide
  • 1-Decyl bromide
  • NSC 8780
  • 10-Bromodecane

Work with 1-Bromodecane

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

1-Bromohexane111-25-1100 % similar 1-Bromooctane111-83-1100 % similar 1-Bromotetradecane112-71-0100 % similar 1-Bromohexadecane112-82-3100 % similar 1-Bromooctadecane112-89-0100 % similar 1-Bromoheptadecane3508-00-7100 % similar 1-Bromoeicosane4276-49-7100 % similar 1-Bromoheptane629-04-9100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook