1,4-Dibromopentane

C₅H₁₀Br₂CAS 626-87-9229.94 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

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 2-Bromooctane557-35-752 % similar 2-Bromopentane107-81-348 % similar 1,2-Dibromopropane78-75-145 % 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

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