Acenaphthylene

C12H8CAS 208-96-8152.20 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C12H8
Molar mass
152.20 g/mol
Exact mass
152.0626 Da
Density
0.8988 g/mL (at 16 °C)
Melting point
92–93 °C
Boiling point
265–275 °C
Flash point
122 °C (closed cup)
Water solubility
3.93 mg/L (25 °C)
logP
3.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 21 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
208-96-8
SMILES
C1=Cc2cccc3cccc1c23
InChIKey
HXGDTGSAIMULJN-UHFFFAOYSA-N
InChI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

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Names and synonyms

2 names
  • Cyclopenta[de]naphthalene
  • NSC 59821

Work with Acenaphthylene

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

Pyrene129-00-050 % similar Perylene198-55-045 % similar 1,8-Dibromonaphtalene17135-74-941 % similar Tribenzo[de,kl,rst]pentaphene188-72-741 % similar Benzo[ghi]perylene191-24-241 % similar Fluoranthene206-44-041 % similar Benzo[e]pyrene192-97-239 % similar 1,8-Diaminonaphthalene479-27-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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