1,4-Diethynylbenzene

C10H6CAS 935-14-8126.16 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C10H6
Molar mass
126.16 g/mol
Exact mass
126.0470 Da
Melting point
96.5 °C
logP
1.65Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
935-14-8
SMILES
C#Cc1ccc(C#C)cc1
InChIKey
MVLGANVFCMOJHR-UHFFFAOYSA-N
InChI
InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,4-diethynyl-
  • Benzene, p-diethynyl-
  • p-Diethynylbenzene
  • 1,4-Bis(ethynyl)benzene
  • 1,4-Diacetylenebenzene
  • 1,4-Diacetylenylbenzene

Work with 1,4-Diethynylbenzene

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

Phenylacetylene536-74-369 % similar 4-Ethynylaniline14235-81-567 % similar Tris(4-ethynylphenyl)amine189178-09-467 % similar 4-Bromophenylacetylene766-96-167 % similar 4-Methylphenylacetylene766-97-267 % similar 1-Ethynyl-4-fluorobenzene766-98-367 % similar 4-Chlorophenylacetylene873-73-467 % similar 4-Ethynyl-1,1′-biphenyl29079-00-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Diethynylbenzene1785-61-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook