1-Bromo-2-pentyne

C₅H₇BrCAS 16400-32-1147.01 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₅H₇Br
Molar mass: 147.01 g/mol
Exact mass: 145.9731 Da
Density: 1.3931 g/mL (at 20 °C)
Boiling point: 93–94 °C (at 113 Torr)
logP: 1.79Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

16400-32-1

SMILES

CCC#CCBr

InChIKey

VDHGRVFJBGRHMD-UHFFFAOYSA-N

InChI

InChI=1S/C5H7Br/c1-2-3-4-5-6/h2,5H2,1H3

Weigh it out

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

Names and synonyms

3 names

2-Pentyne, 1-bromo-
2-Pentynyl bromide
2-Pentyn-1-yl bromide

Work with 1-Bromo-2-pentyne

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Hexyne928-49-460 % similar 1-Bromo-2-octyne18495-27-746 % similar 1-Bromo-2-butyne3355-28-045 % similar 1-Chloro-2-pentyne22592-15-043 % similar 3-Heptyne2586-89-243 % similar 2-Pentyn-1-ol6261-22-943 % similar 2-Pentyne627-21-440 % similar 3-Hexyn-1-ol1002-28-439 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook