[chloro(hydroxymethyl)(triphenyl-λ5-phosphanyl)iridio]triphenyl-λ5-phosphane

• ChemBase ID: 130127
• Molecular Formular: C37H31ClIrOP2
• Molecular Mass: 781.258962
• Monoisotopic Mass: 781.11679255
• SMILES: c1ccc(cc1)P(c1ccccc1)(c1ccccc1)[Ir](C#[OH])(P(c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Canonical SMILES: [OH]#C[Ir](P(c1ccccc1)(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• InChI: InChI=1S/2C18H15P.CO.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/q;;;;-1/p+1
• InChIKey: ZOMWXKQUBRXYLE-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: [chloro(hydroxymethyl)(triphenyl-λ^5-phosphanyl)iridio]triphenyl-λ^5-phosphane
• IUPAC Traditional name: [chloro(hydroxymethyl)(triphenyl-λ^5-phosphanyl)iridio]triphenyl-λ^5-phosphane
• Synonyms: Iridium(I)bis(triphenylphosphine); carbonyl chloride; Vaska's complex; Vaska's compound; Vaska's complex

Database IDs

• CAS Number: 14871-41-1
• EC Number: 238-941-6
• Chemspider ID: 21106488
• Wikipedia Title: Vaska's_complex

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 188.0526 cm^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: insol in water
• Apperance: yellow crystals
• Melting Point: 215 °C (decomp.)
• Boiling Point: 360°C
• Density: ? g/cm^3, ?

Safety Information

• Safety Statements: 22-24/25