(iridiomethylidyne)oxidanium tris(triphenylphosphane) hydride

• ChemBase ID: 303553
• Molecular Formular: C55H45IrOP3+
• Molecular Mass: 1007.083483
• Monoisotopic Mass: 1007.23125195
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ir]C#[O+]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ir]C#[O+]
• InChI: InChI=1S/3C18H15P.CO.Ir/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;/q;;;+1
• InChIKey: UOOZWPZFKPRNAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (iridiomethylidyne)oxidanium tris(triphenylphosphane) hydride
• IUPAC Traditional name: (iridiomethylidyne)oxidanium tris(triphenylphosphine) hydride
• Synonyms: Hydridocarbonyltris(triphenylphosphine)iridium(I); Carbonyltris(triphenylphosphine)iridium(I) hydride; Carbonylhydridotris(triphenylphosphine)iridium(I); 羰酰二氢三(三苯基膦)铱(I)

Database IDs

• CAS Number: 17250-25-8
• EC Number: 241-282-7
• MDL Number: MFCD00015525

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: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in chloroform and toluene
• Apperance: Powder
• Melting Point: 170°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: Ir 18.6% min