1,10-phenanthroline; dichloroplatinum

• ChemBase ID: 149331
• Molecular Formular: C12H8Cl2N2Pt
• Molecular Mass: 446.18932
• Monoisotopic Mass: 444.97124463
• SMILES: c1cc2ccc3cccnc3c2nc1.Cl[Pt]Cl
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.Cl[Pt]Cl
• InChI: InChI=1S/C12H8N2.2ClH.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2
• InChIKey: VONLGUDYJIAGQI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-phenanthroline; dichloroplatinum
• IUPAC Traditional name: phen; platinum(II) chloride
• Synonyms: Dichloro(1,10-phenanthroline)platinum(II); 二氯(1,10-菲咯啉)铂(II)

Database IDs

• CAS Number: 18432-95-6
• MDL Number: MFCD00192009
• PubChem SID: 24864901; 162243498
• PubChem CID: 6099492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2141137
• LogD (pH = 7.4): 2.287525
• Log P: 2.2885551
• Molar Refractivity: 53.9006 cm^3
• Polarizability: 23.776546 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TP2497240
• German water hazard class: 3

Product Information

• Purity: ≥95.0%
• Empirical Formula (Hill Notation): C12H8Cl2N2Pt

DETAILS

Sigma Aldrich - 400165

Packaging
500 mg in glass bottle
Application
Reactant for:
• Mixed-metal complexes incorporating platinum and lanthanide centers1
• Synthesis of platinum complexes containing a chelating di-fluoro-substituted thiourea ligand2
• Adduct formation between ternary Pt(III)-amino acid- aromatic diimine complexes and flavin mononucleotide3Catalyst for the selective synthesis of monoorganotin trihalides4