bis(4-methoxyphenyl)methanone

• ChemBase ID: 89443
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: O=C(c1ccc(cc1)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
• InChIKey: RFVHVYKVRGKLNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methoxyphenyl)methanone
• IUPAC Traditional name: bis(4-methoxyphenyl)methanone
• Synonyms: 4,4'-Dimethoxybenzophenone; Bis(4-methoxyphenyl)methanone; Bis(4-methoxyphenyl)methanone; 4,4`-Dimethoxybenzophenone 98%; 4,4′-Dimethoxybenzophenone; 4,4'-二甲氧基苯甲酮; 4,4'-二甲氧基二苯甲酮

Database IDs

• CAS Number: 90-96-0
• EC Number: 202-028-0
• MDL Number: MFCD00008404
• Beilstein Number: 1878026
• PubChem SID: 162076323; 24848516
• PubChem CID: 7032

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1172564
• LogD (pH = 7.4): 3.1172564
• Log P: 3.1172564
• Molar Refractivity: 69.5599 cm^3
• Polarizability: 27.010387 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141-143 °C(lit.); 141-143°C; 142-146°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%; 98+%
• Linear Formula: (CH3OC6H4)2CO

DETAILS

Sigma Aldrich - 141984

Packaging
25, 100 g in poly bottle