6-Chloro-1-hexyne

C₆H₉ClCAS 10297-06-0116.59 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₆H₉Cl
Molar mass: 116.59 g/mol
Exact mass: 116.0393 Da
Density: 0.9543 g/mL (at 420 °C)
Boiling point: 143–144 °C
logP: 2.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

10297-06-0

SMILES

C#CCCCCCl

InChIKey

ZUKOCGMVJUXIJA-UHFFFAOYSA-N

InChI

InChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h1H,3-6H2

Weigh it out

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

Names and synonyms

4 names

1-Hexyne, 6-chloro-
1-Chlorohex-5-yne
NSC 116032
(4-Chlorobutyl)acetylene

Work with 6-Chloro-1-hexyne

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

5-Chloro-1-pentyne14267-92-683 % similar 1,7-Octadiyne871-84-165 % similar 1,9-Decadiyne1720-38-361 % similar 1,8-Nonadiyne2396-65-861 % similar 1,6-Heptadiyne2396-63-656 % similar 1-Heptyne628-71-748 % similar 5-Chloropentanenitrile6280-87-148 % similar 5-Hexyn-1-ol928-90-548 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook