[3-(diphenylphosphanyl)-2-[(diphenylphosphanyl)methyl]-2-methylpropyl]diphenylphosphane; trichlororhodium

• ChemBase ID: 148589
• Molecular Formular: C41H39Cl3P3Rh
• Molecular Mass: 833.934143
• Monoisotopic Mass: 832.03852318
• SMILES: CC(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.Cl[Rh](Cl)Cl
• Canonical SMILES: CC(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.Cl[Rh](Cl)Cl
• InChI: InChI=1S/C41H39P3.3ClH.Rh/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;;;;/h2-31H,32-34H2,1H3;3*1H;/q;;;;+3/p-3
• InChIKey: ZAUZIYFSWQXYJZ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(diphenylphosphanyl)-2-[(diphenylphosphanyl)methyl]-2-methylpropyl]diphenylphosphane; trichlororhodium
• IUPAC Traditional name: [3-(diphenylphosphanyl)-2-[(diphenylphosphanyl)methyl]-2-methylpropyl]diphenylphosphane; trichlororhodium
• Synonyms: [1,1,1-Tris(diphenylphosphinomethyl)ethane]rhodium(III) chloride; Trichloro[1,1,1-tris(diphenylphosphinomethyl)ethane]rhodium(III); [1,1,1-三(二苯基膦甲基)乙烷]铑(III)氯化物; 三氯[1,1,1-三(二苯基膦基甲基)乙烷]铑(III)

Database IDs

• CAS Number: 62792-06-7
• MDL Number: MFCD00192559
• PubChem SID: 24863652; 162242764
• PubChem CID: 16212421

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.1647
• LogD (pH = 7.4): 11.1647
• Log P: 11.1647
• Molar Refractivity: 190.4098 cm^3
• Polarizability: 75.86851 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 312 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: [CH3C[CH2P(C6H5)2]3]RhCl3

DETAILS

Sigma Aldrich - 384135

Packaging
100, 500 mg in glass bottle