chempirical

2-Bromooctane

C8H17BrCAS 557-35-7193.13 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
1.0982 g/mL (at 25 °C)
Boiling point
72 °C
logP
3.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
557-35-7
SMILES
CCCCCCC(C)Br
InChIKey
FTJHYGJLHCGQHQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Octane, 2-bromo-
  • sec-Octyl bromide
  • 2-Octyl bromide
  • 1-Methylheptyl bromide
  • (±)-2-Bromooctane
  • NSC 8060

Work with 2-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

2-Bromoheptane1974-04-595 % similar 2-Bromohexane3377-86-481 % similar 2-Bromopentane107-81-364 % similar 2-Methyloctane3221-61-254 % similar 2-Methyldecane6975-98-054 % similar 2-Methylundecane7045-71-854 % similar 2-Methylnonane871-83-054 % similar 2,5-Dibromohexane24774-58-152 % similar

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

Same formula

1-Bromooctane111-83-1 2-Ethylhexyl bromide18908-66-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook