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

• ChemBase ID: 301523
• Molecular Formular: C48H52O4P2
• Molecular Mass: 754.871602
• Monoisotopic Mass: 754.3340834
• SMILES: Cc1cc(cc(c1)P(c1cc(cc(c1)C)C)c1cc(cc(c1c1c(cc(cc1P(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)OC)OC)OC)OC)C
• Canonical SMILES: COc1cc(OC)c(c(c1)P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)c1c(OC)cc(cc1P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)OC
• InChI: InChI=1S/C48H52O4P2/c1-29-13-30(2)18-39(17-29)53(40-19-31(3)14-32(4)20-40)45-27-37(49-9)25-43(51-11)47(45)48-44(52-12)26-38(50-10)28-46(48)54(41-21-33(5)15-34(6)22-41)42-23-35(7)16-36(8)24-42/h13-28H,1-12H3
• InChIKey: IDNKFBDRZBLTFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[bis(3,5-dimethylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(3,5-dimethylphenyl)phosphane
• IUPAC Traditional name: (2-{2-[bis(3,5-dimethylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(3,5-dimethylphenyl)phosphane
• Synonyms: (R)-Xylyl-Garphos; (R)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis[bis(3,5-dimethylphenyl)phosphine]; (R)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl; (S)-Xylyl-Garphos; (S)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis[bis(3,5-dimethylphenyl)phosphine]; (S)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl

Database IDs

• CAS Number: 1365531-90-3; 1365531-89-0
• MDL Number: MFCD19443624

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 12.5778
• LogD (pH = 7.4): 12.5778
• Log P: 12.5778
• Molar Refractivity: 228.5064 cm^3
• Polarizability: 89.369644 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+%