4-Chloro-1-butyne

C₄H₅ClCAS 51908-64-688.53 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₄H₅Cl
Molar mass: 88.53 g/mol
Exact mass: 88.0080 Da
logP: 1.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor33.3% of notifiers
H226 Flammable liquid and vapor33.3% of notifiers
H301 Toxic if swallowed100% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P316, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

51908-64-6

SMILES

C#CCCCl

InChIKey

SCALDUUTBUBDKM-UHFFFAOYSA-N

InChI

InChI=1S/C4H5Cl/c1-2-3-4-5/h1H,3-4H2

Weigh it out

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

Work with 4-Chloro-1-butyne

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

5-Chloro-1-pentyne14267-92-667 % similar 6-Chloro-1-hexyne10297-06-063 % similar 1,5-Hexadiyne628-16-053 % similar 1,6-Heptadiyne2396-63-647 % similar 1,7-Octadiyne871-84-147 % similar 1,9-Decadiyne1720-38-344 % similar 1,8-Nonadiyne2396-65-844 % similar Propargyl chloride624-65-744 % similar

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

Same formula

Chloroprene126-99-8 Neoprene9010-98-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook