iododioxorhenium; bis(triphenylphosphane)

• ChemBase ID: 147035
• Molecular Formular: C36H30IO2P2Re
• Molecular Mass: 869.681192
• Monoisotopic Mass: 870.03232946
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.O=[Re](=O)I
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.I[Re](=O)=O
• InChI: InChI=1S/2C18H15P.HI.2O.Re/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*1-15H;1H;;;/q;;;;;+1/p-1
• InChIKey: PMWGPGWRMJAPNT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iododioxorhenium; bis(triphenylphosphane)
• IUPAC Traditional name: iododioxorhenium; bis(triphenylphosphine)
• Synonyms: Iododioxobis(triphenylphosphine)rhenium(V); 碘代二氧双(三苯基磷)铼(V)

Database IDs

• CAS Number: 23032-93-1
• MDL Number: MFCD00151571
• PubChem SID: 24862298; 162241227
• PubChem CID: 11170444

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 195-197 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: [(C6H5)3P]2ReO2I

DETAILS

Sigma Aldrich - 362212

Packaging
1 g in glass bottle
Application
Catalyst for:
• Chemoselective direct reductive amination reactions1
• Selective hydrogenation reactions2
• Living radical polymerization reactions3