1,7-Dibromoheptane

C₇H₁₄Br₂CAS 4549-31-9258.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₄Br₂
Molar mass: 258.00 g/mol
Exact mass: 255.9462 Da
Density: 1.5306 g/mL (at 20 °C)
Melting point: 41.7 °C
Boiling point: 263 °C
logP: 3.73Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Identifiers

CAS number

4549-31-9

SMILES

BrCCCCCCCBr

InChIKey

LVWSZGCVEZRFBT-UHFFFAOYSA-N

InChI

InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2

Weigh it out

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

Names and synonyms

3 names

Heptane, 1,7-dibromo-
Heptamethylene dibromide
NSC 56149

Work with 1,7-Dibromoheptane

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

1,5-Dibromopentane111-24-0100 % similar 1,11-Dibromoundecane16696-65-4100 % similar 1,12-Dibromododecane3344-70-5100 % similar 1,8-Dibromooctane4549-32-0100 % similar 1,9-Dibromononane4549-33-1100 % similar 1,6-Dibromohexane629-03-8100 % similar 1,4-Dibromobutane110-52-189 % similar 1,3-Dibromopropane109-64-870 % similar

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

Elsewhere

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