1-Chloro-2-pentyne

C₅H₇ClCAS 22592-15-0102.56 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₅H₇Cl
Molar mass: 102.56 g/mol
Exact mass: 102.0236 Da
Melting point: 195 °C
logP: 1.64Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H341 Suspected of causing genetic defects100% of notifiers

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

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

22592-15-0

SMILES

CCC#CCCl

InChIKey

JBKXDMAPOZZDCE-UHFFFAOYSA-N

InChI

InChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Pentyne, 1-chloro-

Work with 1-Chloro-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

1,4-Dichloro-2-butyne821-10-360 % similar 3-Hexyne928-49-460 % similar 3,9-Dodecadiyne61827-89-245 % similar 10-Chloro-3-decyne18295-64-244 % similar 1-Bromopent-2-yne16400-32-143 % 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

Same formula

3-Chloro-3-methyl-1-butyne1111-97-3 5-Chloro-1-pentyne14267-92-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook