5-Chloro-1-pentyne

C5H7ClCAS 14267-92-6102.56 g/mol

Open in Covalent MOL file
Cl
Alkyl halideAlkyne

Properties

Molecular formula
C5H7Cl
Molar mass
102.56 g/mol
Exact mass
102.0236 Da
Density
0.9695 g/mL (at 420 °C)
Melting point
118–122 °C
Boiling point
88 °C (at 350 Torr)
logP
1.64Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 47 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
14267-92-6
SMILES
C#CCCCCl
InChIKey
UXFIKVWAAMKFQE-UHFFFAOYSA-N
InChI
InChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2

Weigh it out

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

Names and synonyms

4 names
  • 1-Pentyne, 5-chloro-
  • 1-Chloro-4-pentyne
  • 4-Pentynyl chloride
  • (3-Chloropropyl)acetylene

Work with 5-Chloro-1-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

6-Chloro-1-hexyne10297-06-083 % similar 4-Chloro-1-butyne51908-64-667 % similar 1,6-Heptadiyne2396-63-659 % similar 1,7-Octadiyne871-84-159 % similar 1,9-Decadiyne1720-38-356 % similar 1,8-Nonadiyne2396-65-856 % similar 1,5-Hexadiyne628-16-047 % similar 4-Pentyn-1-ol5390-04-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-3-methyl-1-butyne1111-97-3 1-Chloro-2-pentyne22592-15-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook