chempirical

1-Bromooctane

C8H17BrCAS 111-83-1193.13 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C8H17Br
Molar mass
193.13 g/mol
Exact mass
192.0514 Da
Density
1.1331 g/mL (at 0 °C)
Melting point
−55 °C
Boiling point
200 °C
logP
3.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
111-83-1
SMILES
CCCCCCCCBr
InChIKey
VMKOFRJSULQZRM-UHFFFAOYSA-N
InChI
InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Octane, 1-bromo-
  • Octyl bromide
  • n-Octyl bromide
  • 1-Octylbromide
  • NSC 9821
  • 8-Bromooctane

Work with 1-Bromooctane

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-Bromodecane112-29-8100 % 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 1-Bromopentadecane629-72-1100 % similar

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

Same formula

2-Ethylhexyl bromide18908-66-2 2-Bromooctane557-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook