1,4-Dibromopentane

C5H10Br2CAS 626-87-9229.94 g/mol

Open in Covalent MOL file
BrBr
Alkyl halide

Properties

Molecular formula
C5H10Br2
Molar mass
229.94 g/mol
Exact mass
227.9149 Da
Density
1.687 g/mL (at 15 °C)
Melting point
−34.4 °C
Boiling point
82 °C
logP
2.94Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
626-87-9
SMILES
CC(Br)CCCBr
InChIKey
CNBFRBXEGGRSPL-UHFFFAOYSA-N
InChI
InChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Pentane, 1,4-dibromo-
  • (RS)-1,4-Dibromopentane
  • NSC 8753
  • 2,5-Dibromopentane

Work with 1,4-Dibromopentane

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

1,3-Dibromobutane107-80-270 % similar 2,5-Dibromohexane24774-58-158 % similar 2-Bromohexane3377-86-457 % similar 1-Bromo-4-methylpentane626-88-055 % similar 2-Bromoheptane1974-04-554 % similar sec-Octyl bromide557-35-752 % similar 2-Bromopentane107-81-348 % similar 1-Bromo-5-methylhexane35354-37-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,5-Dibromopentane111-24-0 2,4-Dibromopentane19398-53-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook