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

• ChemBase ID: 301502
• Molecular Formular: C48H28F24O4P2
• Molecular Mass: 1186.6427188
• Monoisotopic Mass: 1186.10795992
• SMILES: c1(cc(c(c(c1)P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1C(F)(F)F)C(F)(F)F)c1c(cc(cc1OC)OC)P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(OC)cc(cc1P(c1cc(ccc1C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC
• InChI: InChI=1S/C48H28F24O4P2/c1-73-28-17-34(75-3)39(37(19-28)77(30-10-22(42(52,53)54)7-23(11-30)43(55,56)57)31-12-24(44(58,59)60)8-25(13-31)45(61,62)63)40-35(76-4)18-29(74-2)20-38(40)78(32-14-26(46(64,65)66)9-27(15-32)47(67,68)69)36-16-21(41(49,50)51)5-6-33(36)48(70,71)72/h5-20H,1-4H3
• InChIKey: PLLZHYWFVKZKIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1365531-85-6; 1365531-84-5
• MDL Number: MFCD19443625

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 15.9026
• LogD (pH = 7.4): 15.9026
• Log P: 15.9026
• Molar Refractivity: 235.9664 cm^3
• Polarizability: 85.545906 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 18
• 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+%