bis(λ1-copper(1+) ion) bis(1,10-phenanthroline) dichloromethane tetrakis(triphenylphosphane) dinitrate

• ChemBase ID: 142981
• Molecular Formular: C97H78Cl2Cu2N6O6P4
• Molecular Mass: 1745.586864
• Monoisotopic Mass: 1742.29023113
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1cc2ccc3cccnc3c2nc1.c1cc2ccc3cccnc3c2nc1.C(Cl)Cl.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+].[Cu+]
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O-][N+](=O)[O-].[O-][N+](=O)[O-].ClCCl.[Cu+].[Cu+]
• InChI: InChI=1S/4C18H15P.2C12H8N2.CH2Cl2.2Cu.2NO3/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1-3;;;2*2-1(3)4/h4*1-15H;2*1-8H;1H2;;;;/q;;;;;;;2*+1;2*-1
• InChIKey: JPYCIEWKXHWRBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^1-copper(1+) ion) bis(1,10-phenanthroline) dichloromethane tetrakis(triphenylphosphane) dinitrate
• IUPAC Traditional name: bis(λ^1-copper(1+) ion) methylene chloride bis(phen) tetrakis(triphenylphosphine) dinitrate
• Synonyms: (1,10-Phenanthroline)bis(triphenylphosphine)copper(I) nitrate dichloromethane adduct; (1,10-菲啰啉)双(三苯基磷)硝酸铜二氯甲烷络合物

Database IDs

• CAS Number: 33989-10-5
• PubChem SID: 162237207
• PubChem CID: 71310838

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: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 202-204 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• 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: 95%
• Linear Formula: [Cu(C12H8N2)[P(C6H5)3]2]NO3 · 1/2CH2Cl2

DETAILS

Sigma Aldrich - 707007

Packaging
1, 5 g in glass bottle