tetrakis(2-phenylpyridine); bis(trichlororhodium)

• ChemBase ID: 149871
• Molecular Formular: C44H36Cl6N4Rh2
• Molecular Mass: 1039.31244
• Monoisotopic Mass: 1035.91812125
• SMILES: c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.Cl[Rh](Cl)Cl.Cl[Rh](Cl)Cl
• Canonical SMILES: c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.Cl[Rh](Cl)Cl.Cl[Rh](Cl)Cl
• InChI: InChI=1S/4C11H9N.6ClH.2Rh/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h4*1-9H;6*1H;;/q;;;;;;;;;;2*+3/p-6
• InChIKey: QLKGQIHEDKXYJJ-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(2-phenylpyridine); bis(trichlororhodium)
• IUPAC Traditional name: tetrakis(2-phenylpyridine); bis(trichlororhodium)
• Synonyms: Di-μ-chlorotetrakis(2-phenylpyridine)dirhodium; Di-μ-chlorotetrakis[2-(2-pyridinyl)phenyl-C,N]dirhodium; Chlorobis(2-phenylpyridine)rhodium(III) dimer; 二(2-苯基吡啶)氯化铑二聚体

Database IDs

• CAS Number: 33915-80-9
• MDL Number: MFCD00191828
• PubChem SID: 162244033; 24866090
• PubChem CID: 71311434

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.754655
• LogD (pH = 7.4): 2.7882028
• Log P: 2.788649
• Molar Refractivity: 48.6653 cm^3
• Polarizability: 20.54631 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 270 °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: 98%
• Empirical Formula (Hill Notation): C44H32Cl2N4Rh2

DETAILS

Sigma Aldrich - 419079

Packaging
1 g in glass bottle
Application
Reactant for:
• Chiral octahedral bimetallic assemblies1
• Synthesis of luminescent cyclometalated Rh(II) complexes with carboxylated bipyridyl ligands2