9,10-bis(4-methylphenyl)anthracene

• ChemBase ID: 136570
• Molecular Formular: C28H22
• Molecular Mass: 358.47428
• Monoisotopic Mass: 358.1721507
• SMILES: Cc1ccc(cc1)c1c2ccccc2c(c2c1cccc2)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1c2ccccc2c(c2c1cccc2)c1ccc(cc1)C
• InChI: InChI=1S/C28H22/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)28(22-17-13-20(2)14-18-22)26-10-6-4-8-24(26)27/h3-18H,1-2H3
• InChIKey: DNJUFDQOIUPQMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-bis(4-methylphenyl)anthracene
• IUPAC Traditional name: 9,10-bis(4-methylphenyl)anthracene
• Synonyms: 9,10-Di-p-tolylanthracene; 9,10-二-对甲苯蒽

Database IDs

• CAS Number: 43217-31-8
• MDL Number: MFCD00488406
• PubChem SID: 24883623; 162230840
• PubChem CID: 11210551

CALCULATED PROPERTIES

• LogD (pH = 7.4): 8.273493
• Log P: 8.273493
• Molar Refractivity: 119.3132 cm^3
• Polarizability: 51.5818 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.273493

PROPERTIES

Physical Property

• Melting Point: 279.4-280.9 °C(lit.)
• Absorption Wavelength: λmax 376 nm

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H413
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C28H22

DETAILS

Sigma Aldrich - 648973

General description
Photoluminescent small molecule.
Packaging
2 g in glass bottle