nitrosorhodium; tris(triphenylphosphane)

• ChemBase ID: 149686
• Molecular Formular: C54H45NOP3Rh
• Molecular Mass: 919.767983
• Monoisotopic Mass: 919.17690396
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.N(=O)[Rh]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Rh]N=O
• InChI: InChI=1S/3C18H15P.NO.Rh/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;+1
• InChIKey: ZXDPWVXWAWMNLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nitrosorhodium; tris(triphenylphosphane)
• IUPAC Traditional name: nitrosorhodium; tris(triphenylphosphine)
• Synonyms: Nitrosyltris(triphenylphosphine)rhodium(I); 亚硝三(三苯基膦)铑(I)

Database IDs

• CAS Number: 21558-94-1
• MDL Number: MFCD00015868
• PubChem SID: 162243848
• PubChem CID: 12617926

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

• Melting Point: 147 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: [(C6H5)3P]3Rh(NO)

DETAILS

Sigma Aldrich - 335096

Packaging
500 mg in glass bottle