λ1-copper(1+) ion bis(triphenylphosphane) nitrate

• ChemBase ID: 137561
• Molecular Formular: C36H30CuNO3P2
• Molecular Mass: 650.121822
• Monoisotopic Mass: 649.09968959
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[N+](=O)([O-])[O-].[Cu+]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O-][N+](=O)[O-].[Cu+]
• InChI: InChI=1S/2C18H15P.Cu.NO3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;2-1(3)4/h2*1-15H;;/q;;+1;-1
• InChIKey: QJNAQZVCFXFYBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-copper(1+) ion bis(triphenylphosphane) nitrate
• IUPAC Traditional name: λ^1-copper(1+) ion bis(triphenylphosphine) nitrate
• Synonyms: Bis(triphenylphosphine)copper(I) nitrate; 双(三苯基膦)硝酸铜(I)

Database IDs

• CAS Number: 23751-62-4
• MDL Number: MFCD02091690
• PubChem SID: 162231823
• PubChem CID: 14325121

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: 230 °C (dec.)(lit.)

Safety Information

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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C36H30CuNO3P2