1-Chloro-4-nonyne

C₉H₁₅ClCAS 3416-74-8158.67 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₉H₁₅Cl
Molar mass: 158.67 g/mol
Exact mass: 158.0862 Da
logP: 3.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

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

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

Precautionary statements

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

Identifiers

CAS number

3416-74-8

SMILES

CCCCC#CCCCCl

InChIKey

RHZYERSKMQJUCP-UHFFFAOYSA-N

InChI

InChI=1S/C9H15Cl/c1-2-3-4-5-6-7-8-9-10/h2-4,7-9H2,1H3

Weigh it out

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

Work with 1-Chloro-4-nonyne

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

12-Chloro-5-dodecyne42513-36-082 % similar 5-Decyne1942-46-768 % similar 4-Nonyne20184-91-262 % similar 5-Undecyne2294-72-662 % similar 1-Chlorobutane109-69-360 % similar 5-Dodecyne19780-12-259 % similar 1-Chloropentane543-59-957 % similar 6-Dodecyne6975-99-157 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook