1-Bromo-2-octyne

C₈H₁₃BrCAS 18495-27-7189.10 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₈H₁₃Br
Molar mass: 189.10 g/mol
Exact mass: 188.0201 Da
Density: 1.1666 g/mL (at 20 °C)
Boiling point: 95 °C (at 12 Torr)
logP: 2.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H227 Combustible liquid50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

18495-27-7

SMILES

CCCCCC#CCBr

InChIKey

QKPBYOBXEXNWOA-UHFFFAOYSA-N

InChI

InChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3

Weigh it out

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

Names and synonyms

2 names

2-Octyne, 1-bromo-
2-Octynyl bromide

Work with 1-Bromo-2-octyne

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

6-Dodecyne6975-99-170 % similar 5-Undecyne2294-72-667 % similar 5-Dodecyne19780-12-264 % similar 4-Decyne2384-86-364 % similar 3-Nonyne20184-89-858 % similar 5-Decyne1942-46-757 % similar 3-Decyne2384-85-256 % similar 3-Undecyne60212-30-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook