chempirical

Methylphenylacetylene

C9H8CAS 673-32-5116.16 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C9H8
Molar mass
116.16 g/mol
Exact mass
116.0626 Da
Density
0.9409 g/mL (at 20 °C)
Boiling point
183 °C
logP
2.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
673-32-5
SMILES
CC#Cc1ccccc1
InChIKey
GHUURDQYRGVEHX-UHFFFAOYSA-N
InChI
InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzene, 1-propyn-1-yl-
  • Benzene, (1-propynyl)-
  • Benzene, 1-propynyl-
  • Propyne, 1-phenyl-
  • Propine, 1-phenyl-
  • 1-Propyn-1-ylbenzene
  • 1-Phenylpropyne
  • Phenylmethylacetylene
  • 1-Phenyl-1-propyne
  • 1-Methyl-2-phenylacetylene
  • 1-Propynylbenzene
  • Methylphenylethyne
  • 3-Phenyl-2-propyne
  • (2-Methylethynyl)benzene

Work with Methylphenylacetylene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenylacetylene501-65-561 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-058 % similar Diphenylbutadiyne886-66-855 % similar 1-Phenyl-2-(trimethylsilyl)acetylene2170-06-148 % similar 1-Phenyl-1-butyne622-76-448 % similar Bromophenylacetylene932-87-648 % similar 9,10-Bis(phenylethynyl)anthracene10075-85-146 % similar 1-Pentyn-1-ylbenzene4250-81-144 % similar

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

Same formula

3-Methylphenylacetylene766-82-5 4-Methylphenylacetylene766-97-2 Indene95-13-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook