Phenylcyclopropane
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
- H226 Flammable liquid and vapor100% of notifiers
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
873-49-4SMILES
c1ccc(C2CC2)cc1InChIKey
VFSFCYAQBIPUSL-UHFFFAOYSA-NInChI
InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
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