Acenaphthylene

• CAS: 208-96-8
• Catalog Number: ACM-MO-208968
• Category: Arenes; Cyclic Olefin Monomers
• Molecular Weight: 152.2 g/mol
• Molecular Formula: C12H8
• Synonyms: Cyclopenta[de]naphthalene
• IUPAC Name: acenaphthylene
• Canonical SMILES: C1=CC2=C3C(=C1)C=CC3=CC=C2
• InChI: HXGDTGSAIMULJN-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
• Boiling Point: 275 °C
• Melting Point: 93 °C
• Flash Point: 122°C
• Density: 0.899 g/cm3 at 25 °C(lit.)
• Solubility: Insoluble in water.Soluble in benzene, alcohol, ether, toluene
• Appearance: Light Yellow to Brown Powder to Crystal
• Application: Polycyclic aromatic hydrocarbons as carcinogenic
• Storage: APPROX 4°C
• Color/Form: Yellow needles;Colorless crystalline solid;Prisms from ether and plates from alcohol
• Complexity: 184
• Covalently-Bonded Unit Count: 1
• Decomposition: Hazardous decomposition products formed under fire conditions - Carbon oxides.;When heated to decomposition, it emits acrid smoke and irritating fumes.
• Defined Atom Stereocenter Count: 0
• Degree of solubility in water: 16.1 mg/l 25 °C
• EC Number: 205-917-1
• Exact Mass: 152.0626
• Formal Charge: 0
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: C1=CC2=C3C(=C1)C=CC3=CC=C2
• Isotope Atom Count: 0
• Monoisotopic Mass: 152.0626
• NSC Number: 59821
• Octanol Water Partition Coefficient: 3.94 (LogP);log Kow = 3.93
• Other Experimental: Enthalpy of sublimation, 17.0 kcal/mol at 298 K;Henry's Law constant = 1.25X10-4 atm-cu m/mol at 25 deg C;Hydroxyl radical reaction rate constant = 1.09X10-10 cu cm/molec-sec at 25 deg C;Gas-phase ozone reaction rate constant = 3.99-16 cu cm/molec-sec at 25 deg C;Nitrate radical reaction rate constant = 4.42X10-12 cu cm/molec-sec at 25 deg C
• Physical Description: ACENAPHTHYLENE is a colorless crystalline solid. Insoluble in water. Used in dye synthesis, insecticides, fungicides, and in the manufacture of plastics.
• Physical State: Solid
• Rotatable Bond Count: 0
• Stability: Stable under recommended storage conditions.
• Topological Polar Surface Area: 0 Ų
• UNII: 1Z25C36811
• UN Number: 3077
• Vapor Pressure: 0.01 mmHg;0.0048 mm Hg at 25 deg C