Phenylcyclopropane

C9H10CAS 873-49-4118.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H10
Molar mass
118.18 g/mol
Exact mass
118.0783 Da
Density
0.9449 g/mL (at 15 °C)
Melting point
−31 °C
Boiling point
173.6 °C
logP
2.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
873-49-4
SMILES
c1ccc(C2CC2)cc1
InChIKey
VFSFCYAQBIPUSL-UHFFFAOYSA-N
InChI
InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C9H11 119.0855
[M + Na]+
[M + Na]+ Calcd for C9H10Na 141.0675
[M − H]−
[M − H]− Calcd for C9H9 117.0710
Elemental analysis
Anal. Calcd for C9H10: C, 91.47; H, 8.53.

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Names and synonyms

5 names
  • Benzene, cyclopropyl-
  • Cyclopropylbenzene
  • Cyclopropane, phenyl-
  • 1-Phenylcyclopropane
  • NSC 3018

Reactions

Work with Phenylcyclopropane

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

Cyclohexylbenzene827-52-174 % similar 4-Phenylpiperidine771-99-367 % similar 4-Phenylpiperidine hydrochloride10272-49-858 % similar 4-Phenylcyclohexanone4894-75-158 % similar (1-Ethylpropyl)benzene1196-58-357 % similar 2-Phenyl-1,3-propanediol1570-95-257 % similar 3-Phenylpyrrolidine936-44-754 % similar 1,4-Dicyclohexylbenzene1087-02-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylstyrene100-80-1 Phenylpropene300-57-2 Indane496-11-7 2-Methylstyrene611-15-4 4-Vinyltoluene622-97-9 β-Methylstyrene637-50-3 cis-beta-Methylstyrene766-90-5 trans-Propenylbenzene873-66-5

Elsewhere

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