(2H8)acenaphthylene

• ChemBase ID: 149537
• Molecular Formular: C12H8
• Molecular Mass: 152.19192
• Monoisotopic Mass: 152.06260026
• SMILES: c1cc2cccc3c2c(c1)C=C3
• Canonical SMILES: c1cc2cccc3c2c(c1)C=C3
• InChI: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
• InChIKey: HXGDTGSAIMULJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₈)acenaphthylene
• IUPAC Traditional name: (^2H₈)acenaphthylene
• Synonyms: Acenaphthylene-d8; 苊-d8

Database IDs

• CAS Number: 93951-97-4
• MDL Number: MFCD00143527
• PubChem SID: 162243702; 24868703
• PubChem CID: 12214913

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3293178
• LogD (pH = 7.4): 3.3293178
• Log P: 3.3293178
• Molar Refractivity: 51.905 cm^3
• Polarizability: 20.97735 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-82 °C(lit.)
• Boiling Point: 280 °C(lit.)
• Flash Point: 122 °C; 251.6 °F
• Mass Shift: M+8

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 160.17 by atom % calculation
• Empirical Formula (Hill Notation): C12D8

DETAILS

Sigma Aldrich - 452459

Packaging
100, 500 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.