Chrysene
Properties
- Molecular formula
- C18H12
- Molar mass
- 228.29 g/mol
- Exact mass
- 228.0939 Da
- Density
- 1.274 g/mL (at 20 °C)
- Melting point
- 258.2 °C
- Boiling point
- 448 °C
- Water solubility
- insoluble
- logP
- 5.15Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H341 Suspected of causing genetic defectsGerm cell mutagenicity
- H350 May cause cancerCarcinogenicity
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 601-048-00-0), via PubChem.
Precautionary statements
P203, P273, P280, P318, P391, P405, P501
Identifiers
CAS number
218-01-9SMILES
c1ccc2c(c1)ccc1c3ccccc3ccc21InChIKey
WDECIBYCCFPHNR-UHFFFAOYSA-NInChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1,2-Benzphenanthrene
- Benzo[a]phenanthrene
- 1,2-Benzophenanthrene
- NSC 6175
- [4]Phenacene
Work with Chrysene
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
Phenanthrene85-01-886 % similar
Dibenz[a,h]anthracene53-70-367 % similar
6-Aminochrysene2642-98-061 % similar
Benzo[e]pyrene192-97-258 % similar
Dibenzo[a,h]pyrene189-64-057 % similar
2-Bromophenanthrene62162-97-457 % similar
Benzo[b]triphenylene215-58-756 % similar
Dibenzo[a,d]cyclohepten-5-one2222-33-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.