1-Bromopent-2-yne

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

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation95.9% of notifiers
H335 May cause respiratory irritation93.9% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

4 names

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

Work with 1-Bromopent-2-yne

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 3,9-Dodecadiyne61827-89-245 % similar 1-Chloro-2-pentyne22592-15-043 % similar Hept-3-yne2586-89-243 % similar 2-Pentyn-1-ol6261-22-943 % similar 2-Pentyne627-21-440 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook