1-Phenyl-1-butyne

C10H10CAS 622-76-4130.19 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C10H10
Molar mass
130.19 g/mol
Exact mass
130.0783 Da
Density
0.915 g/mL (at 18 °C)
Boiling point
87–90 °C
logP
2.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
622-76-4
SMILES
CCC#Cc1ccccc1
InChIKey
FFFMSANAQQVUJA-UHFFFAOYSA-N
InChI
InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-butyn-1-yl-
  • 1-Butyne, 1-phenyl-
  • Benzene, 1-butynyl-
  • 1-Butyn-1-ylbenzene
  • Phenylethylacetylene
  • Ethylphenylacetylene
  • 1-Ethyl-2-phenylacetylene
  • 1-Butynylbenzene

Work with 1-Phenyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Pentyn-1-ylbenzene4250-81-162 % similar 1-Hexyn-1-ylbenzene1129-65-357 % similar 1-Heptyn-1-ylbenzene14374-45-955 % similar 3-Phenyl-2-propyn-1-ol1504-58-154 % similar 1-Phenyl-3-chloro-1-propyne3355-31-554 % similar 1-Phenyl-1-octyne16967-02-553 % similar Diphenylacetylene501-65-552 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Phenyl-1-butyne16520-62-0 (E)-1-Phenyl-1,3-butadiene16939-57-4 2-Methylindene2177-47-1 1-Ethyl-4-ethynylbenzene40307-11-7 Dialin447-53-0 1,4-Dihydronaphthalene612-17-9 4-Vinylbenzocyclobutene99717-87-0

Elsewhere

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