2-chloro-9-(4-ethoxyphenyl)-10-(4-methylphenyl)anthracene; formaldehyde

• ChemBase ID: 298433
• Molecular Formular: C30H25ClO2
• Molecular Mass: 452.9713
• Monoisotopic Mass: 452.15430772
• SMILES: CCOc1ccc(cc1)c1c2ccccc2c(c2c1cc(cc2)Cl)c1ccc(cc1)C.C=O
• Canonical SMILES: CCOc1ccc(cc1)c1c2ccccc2c(c2c1cc(Cl)cc2)c1ccc(cc1)C.C=O
• InChI: InChI=1S/C29H23ClO.CH2O/c1-3-31-23-15-12-21(13-16-23)29-25-7-5-4-6-24(25)28(20-10-8-19(2)9-11-20)26-17-14-22(30)18-27(26)29;1-2/h4-18H,3H2,1-2H3;1H2
• InChIKey: SSMIBDBMQUEMNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-9-(4-ethoxyphenyl)-10-(4-methylphenyl)anthracene; formaldehyde
• IUPAC Traditional name: 2-chloro-9-(4-ethoxyphenyl)-10-(4-methylphenyl)anthracene; formaldehyde
• Synonyms: 9,10-Bis(4-ethoxyphenyl)-2-chloroanthracene; 9,10-双(4-乙氧基苯基)-2-氯蒽

Database IDs

• CAS Number: 135965-21-8
• MDL Number: MFCD00190198
• PubChem SID: 180683964
• PubChem CID: 73995584

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.563252
• LogD (pH = 7.4): 8.563252
• Log P: 8.563252
• Molar Refractivity: 130.2886 cm^3
• Polarizability: 55.674305 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 264-265°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%