1,2-dihydro(2H10)acenaphthylene

• ChemBase ID: 146320
• Molecular Formular: C12H10
• Molecular Mass: 154.2078
• Monoisotopic Mass: 154.07825032
• SMILES: c1cc2cccc3c2c(c1)CC3
• Canonical SMILES: c1cc2cccc3c2c(c1)CC3
• InChI: InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
• InChIKey: CWRYPZZKDGJXCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dihydro(^2H₁₀)acenaphthylene
• IUPAC Traditional name: (^2H₁₀)acenaphthylene
• Synonyms: Acenaphthene-d10; 苊-d10

Database IDs

• CAS Number: 15067-26-2
• MDL Number: MFCD00068265
• PubChem SID: 162240518; 24867850; 24868655
• PubChem CID: 177559

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5258396
• LogD (pH = 7.4): 3.5258396
• Log P: 3.5258396
• Molar Refractivity: 50.7884 cm^3
• Polarizability: 21.02367 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-97 °C(lit.)
• Boiling Point: 277-279 °C(lit.)
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-50/53
• Safety Statements: 26-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H410
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P501
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: analytical standard
• Isotopic Purity: 99 atom % D
• Packaging: ampule of 100 mg
• Mol. Weight: mol wt 164.17 by atom % calculation
• Empirical Formula (Hill Notation): C12D10

DETAILS

Sigma Aldrich - 451819

Packaging
1, 5 g 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.