λ1-rhodium(1+) ion bis({1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane) perchlorate

• ChemBase ID: 138839
• Molecular Formular: C88H64ClO4P4Rh
• Molecular Mass: 1447.700904
• Monoisotopic Mass: 1446.24986373
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[Rh+]
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.[O-][Cl](=O)(=O)=O.[Rh+]
• InChI: InChI=1S/2C44H32P2.ClHO4.Rh/c2*1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2-1(3,4)5;/h2*1-32H;(H,2,3,4,5);/q;;;+1/p-1
• InChIKey: KVPBRDZEEAEGDI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion bis({1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane) perchlorate
• IUPAC Traditional name: λ^1-rhodium(1+) ion bis(binap) perchlorate
• Synonyms: Bis[(R)-(-)-2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]rhodium(I) perchlorate; 双[(R)-(-)-2,2′-双(二苯基膦基)-1,1′-联萘]高氯酸铑(I)

Database IDs

• CAS Number: 95156-21-1
• PubChem SID: 162233090
• PubChem CID: 13509324

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.8554
• LogD (pH = 7.4): 11.8554
• Log P: 11.8554
• Molar Refractivity: 195.2244 cm^3
• Polarizability: 80.66715 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 258-261 °C (dec.)(lit.)
• Optical Rotation: [α]24/D -109.7°, c = 0.2 in methylene chloride

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36/37/39
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: 96%
• Linear Formula: [[(C6H5)2PC10H6-]2]2RhClO4