bis(4-methoxyphenyl) carbonate

• ChemBase ID: 295513
• Molecular Formular: C15H14O5
• Molecular Mass: 274.26866
• Monoisotopic Mass: 274.08412355
• SMILES: COc1ccc(cc1)OC(=O)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OC(=O)Oc1ccc(cc1)OC
• InChI: InChI=1S/C15H14O5/c1-17-11-3-7-13(8-4-11)19-15(16)20-14-9-5-12(18-2)6-10-14/h3-10H,1-2H3
• InChIKey: PVBTWSPZTNYNHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methoxyphenyl) carbonate
• IUPAC Traditional name: bis(4-methoxyphenyl) carbonate
• Synonyms: 4-Methoxyphenyl carbonate; Bis(4-methoxyphenyl) carbonate; 双(4-甲氧苯基)碳酸酯

Database IDs

• CAS Number: 5676-71-1
• MDL Number: MFCD00798557
• PubChem SID: 180681044
• PubChem CID: 3793869

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.542414
• LogD (pH = 7.4): 3.542414
• Log P: 3.542414
• Molar Refractivity: 71.518 cm^3
• Polarizability: 28.225523 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-88°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: 97%