chempirical

2-Bromoheptane

C7H15BrCAS 1974-04-5179.10 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
1.1277 g/mL (at 20 °C)
Melting point
47 °C
Boiling point
166 °C
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
1974-04-5
SMILES
CCCCCC(C)Br
InChIKey
HLAUCEOFCOXKNF-UHFFFAOYSA-N
InChI
InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Heptane, 2-bromo-
  • 2-Heptyl bromide
  • (±)-2-Bromoheptane
  • NSC 11768
  • Heptan-2-yl bromide

Work with 2-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

2-Bromooctane557-35-795 % similar 2-Bromohexane3377-86-485 % similar 2-Bromopentane107-81-367 % similar 2,5-Dibromohexane24774-58-155 % similar 1,4-Dibromopentane626-87-954 % similar 2-Methylheptane592-27-852 % similar 2-Methyloctane3221-61-250 % similar 2-Methyldecane6975-98-050 % similar

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

Same formula

3-Bromoheptane1974-05-6 1-Bromoheptane629-04-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook