(2-{2-[bis(4-methylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methylphenyl)phosphane

• ChemBase ID: 301669
• Molecular Formular: C44H44O4P2
• Molecular Mass: 698.765282
• Monoisotopic Mass: 698.27148315
• SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)c1cc(cc(c1c1c(cc(cc1P(c1ccc(cc1)C)c1ccc(cc1)C)OC)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)P(c1ccc(cc1)C)c1ccc(cc1)C)c1c(OC)cc(cc1P(c1ccc(cc1)C)c1ccc(cc1)C)OC
• InChI: InChI=1S/C44H44O4P2/c1-29-9-17-35(18-10-29)49(36-19-11-30(2)12-20-36)41-27-33(45-5)25-39(47-7)43(41)44-40(48-8)26-34(46-6)28-42(44)50(37-21-13-31(3)14-22-37)38-23-15-32(4)16-24-38/h9-28H,1-8H3
• InChIKey: JXFDRZQHVPTIMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[bis(4-methylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methylphenyl)phosphane
• IUPAC Traditional name: (2-{2-[bis(4-methylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methylphenyl)phosphane
• Synonyms: (R)-Tolyl-Garphos; (R)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis(di-p-tolylphosphine); (R)-2,2'-Bis(di-p-tolylphosphino)-4,4',6,6'-tetramethoxybiphenyl; (S)-Tolyl-Garphos; (S)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis(di-p-tolylphosphine); (S)-2,2'-Bis(di-p-tolylphosphino)-4,4',6,6'-tetramethoxybiphenyl

Database IDs

• MDL Number: MFCD19443623

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 10.709
• LogD (pH = 7.4): 10.709
• Log P: 10.709
• Molar Refractivity: 208.3416 cm^3
• Polarizability: 82.3037 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+%