9-ethenylanthracene

• ChemBase ID: 150369
• Molecular Formular: C16H12
• Molecular Mass: 204.26648
• Monoisotopic Mass: 204.09390038
• SMILES: C=Cc1c2ccccc2cc2c1cccc2
• Canonical SMILES: C=Cc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2
• InChIKey: OGOYZCQQQFAGRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethenylanthracene
• IUPAC Traditional name: 9-ethenylanthracene
• Synonyms: 9-Vinylanthracene; 9-vinylanthracene; 9-乙烯基蒽

Database IDs

• CAS Number: 2444-68-0
• EC Number: 219-486-2
• MDL Number: MFCD00003576
• Beilstein Number: 2041641
• PubChem SID: 24900719; 162244530
• PubChem CID: 17125

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: 29.317074 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-65 °C(lit.); 62-65°C; 64-66 °C
• Boiling Point: 61-66 °C/10 mmHg(lit.); 61-66°C/10mm

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 97%; 98%
• Grade: technical
• Empirical Formula (Hill Notation): C16H12

DETAILS

Sigma Aldrich - V1708

Packaging
1, 5 g in glass bottle