4-Chlorophenylacetylene

C₈H₅ClCAS 873-73-4136.58 g/mol

Open in Covalent MOL file

Alkyne Aryl halide

Properties

Molecular formula: C₈H₅Cl
Molar mass: 136.58 g/mol
Exact mass: 136.0080 Da
logP: 2.32Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

873-73-4

SMILES

C#CC1=CC=C(C=C1)Cl

InChIKey

LFZJRTMTKGYJRS-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H

Weigh it out

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

Names and synonyms

1 names

Benzene, 1-chloro-4-ethynyl-

Work with 4-Chlorophenylacetylene

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-Diethynylbenzene935-14-867 % similar Tris(4-ethynylphenyl)amine189178-09-457 % similar 1,4-Dichlorobenzene106-46-750 % similar 4-Ethynylaniline14235-81-550 % similar 4-Ethynyl-N,N-dimethylaniline17573-94-350 % similar Phenylacetylene536-74-350 % similar 4-Chlorobenzonitrile623-03-050 % similar 4-Bromophenylacetylene766-96-150 % similar

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

Same formula

3-Chlorophenylacetylene766-83-6 1-Chloro-2-ethynylbenzene873-31-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook