chempirical

3-Bromoheptane

C7H15BrCAS 1974-05-6179.10 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
1.1415 g/mL (at 15 °C)
Boiling point
62 °C
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
1974-05-6
SMILES
CCCCC(Br)CC
InChIKey
MLHXKYLLJRLHGH-UHFFFAOYSA-N
InChI
InChI=1S/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • Heptane, 3-bromo-
  • 3-Heptyl bromide

Work with 3-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

3-Bromohexane3377-87-571 % similar 3-Bromopentane1809-10-555 % similar 2-Ethylhexyl bromide18908-66-248 % similar 2-Bromohexane3377-86-448 % similar 3-Methylheptane589-81-148 % similar Di(2-ethylhexyl)ether10143-60-946 % similar 3-Heptanol589-82-246 % similar 1,2-Dibromobutane533-98-246 % similar

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

Same formula

2-Bromoheptane1974-04-5 1-Bromoheptane629-04-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook