chempirical

1-Bromoheptane

C7H15BrCAS 629-04-9179.10 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C7H15Br
Molar mass
179.10 g/mol
Exact mass
178.0357 Da
Density
1.1596 g/mL (at 0 °C)
Melting point
−58 °C
Boiling point
179 °C
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
629-04-9
SMILES
CCCCCCCBr
InChIKey
LSXKDWGTSHCFPP-UHFFFAOYSA-N
InChI
InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Heptane, 1-bromo-
  • Heptyl bromide
  • n-Heptyl bromide
  • 1-Heptyl bromide
  • NSC 7315

Work with 1-Bromoheptane

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-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

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

Same formula

2-Bromoheptane1974-04-5 3-Bromoheptane1974-05-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook