2,6-bis(pyridin-2-yl)pyridine dichloroplatinum dihydrate

• ChemBase ID: 146458
• Molecular Formular: C15H15Cl2N3O2Pt
• Molecular Mass: 535.2825
• Monoisotopic Mass: 534.0189231
• SMILES: c1ccnc(c1)c1cccc(n1)c1ccccn1.O.O.Cl[Pt]Cl
• Canonical SMILES: c1ccc(nc1)c1cccc(n1)c1ccccn1.Cl[Pt]Cl.O.O
• InChI: InChI=1S/C15H11N3.2ClH.2H2O.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;;;;/h1-11H;2*1H;2*1H2;/q;;;;;+2/p-2
• InChIKey: WEBUYGBVKZYTMT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(pyridin-2-yl)pyridine dichloroplatinum dihydrate
• IUPAC Traditional name: platinum(II) chloride terpyridine dihydrate
• Synonyms: Dichloro(2,2′:6′,2′′-terpyridine)platinum(II) dihydrate; Chloro(2,2′:6′,2″-terpyridine)platinum(II) chloride dihydrate; Dichloro(2,2′:6′,2′′-terpyridine)platinum(II) dihydrate; 氯(2,2′:6′,2′′-三联吡啶)二氯化铂 二水合物; 氯(2,2′:6′,2′′-三联吡啶)二氯化铂 二水合物

Database IDs

• CAS Number: 151120-25-1
• MDL Number: MFCD00149950
• PubChem SID: 24855913; 162240654; 24857315
• PubChem CID: 16211752

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1556501
• LogD (pH = 7.4): 3.1580498
• Log P: 3.1580806
• Molar Refractivity: 68.3717 cm^3
• Polarizability: 29.727493 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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: ≥99.0% (AAS); 98%
• Empirical Formula (Hill Notation): C15H11Cl2N3Pt · 2H2O

DETAILS

Sigma Aldrich - 26420

Other Notes
An intercalator of helical and double stranded DNA1; Spectroscopic tag for proteins. Selective covalent labeling of histidine in cytochromes c2; Intercalation3

Sigma Aldrich - 288098

Packaging
500 mg in glass bottle