2-ethenylanthracene

• ChemBase ID: 179518
• Molecular Formular: C16H12
• Molecular Mass: 204.26648
• Monoisotopic Mass: 204.09390038
• SMILES: c1ccc2c(c1)cc1c(c2)ccc(c1)C=C
• Canonical SMILES: C=Cc1ccc2c(c1)cc1c(c2)cccc1
• InChI: InChI=1S/C16H12/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h2-11H,1H2
• InChIKey: JYBJXKVJBAHQNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenylanthracene
• IUPAC Traditional name: 2-ethenylanthracene
• Synonyms: 2-Ethenylanthracene; 2-Vinylanthracene

Database IDs

• CAS Number: 2026-16-6
• PubChem SID: 164235428
• PubChem CID: 4413601

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6889014
• LogD (pH = 7.4): 4.6889014
• Log P: 4.6889014
• Molar Refractivity: 68.6447 cm^3
• Polarizability: 29.314314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Light Yellow Solid
• Melting Point: 177-179°C

Safety Information

• Storage Condition: Amber Vial, -20°C Freezer, Under Inert Atmosphere

Product Information

• Purity: 98%

DETAILS

Toronto Research Chemicals - V368750

Used in cationic polymerization.

REFERENCES

• Wim, D., et al.: Synthesis, 2, 201 (1996)