{2-[2-(diphenylphosphanyl)-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl}diphenylphosphane

• ChemBase ID: 301180
• Molecular Formular: C40H36O4P2
• Molecular Mass: 642.658962
• Monoisotopic Mass: 642.20888289
• SMILES: COc1cc(c(c(c1)P(c1ccccc1)c1ccccc1)c1c(cc(cc1P(c1ccccc1)c1ccccc1)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)P(c1ccccc1)c1ccccc1)c1c(OC)cc(cc1P(c1ccccc1)c1ccccc1)OC
• InChI: InChI=1S/C40H36O4P2/c1-41-29-25-35(43-3)39(37(27-29)45(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40-36(44-4)26-30(42-2)28-38(40)46(33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3
• InChIKey: YSQIPQZYSQJPNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(diphenylphosphanyl)-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl}diphenylphosphane
• IUPAC Traditional name: {2-[2-(diphenylphosphanyl)-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl}diphenylphosphane
• Synonyms: (R)-Phenyl-Garphos; (R)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine); (R)-2,2'-Bis(diphenylphosphino)-4,4',6,6'-tetramethoxybiphenyl; (S)-Phenyl-Garphos; (S)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine); (S)-2,2'-Bis(diphenylphosphino)-4,4',6,6'-tetramethoxybiphenyl

Database IDs

• CAS Number: 1365531-75-4; 1365531-76-5
• MDL Number: MFCD19443622

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 8.8402
• LogD (pH = 7.4): 8.8402
• Log P: 8.8402
• Molar Refractivity: 188.1768 cm^3
• Polarizability: 75.240654 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97+%