2-(pyridin-2-yl)pyridine; dichloropalladium

• ChemBase ID: 145710
• Molecular Formular: C10H8Cl2N2Pd
• Molecular Mass: 333.50992
• Monoisotopic Mass: 331.90993963
• SMILES: c1ccnc(c1)c1ccccn1.Cl[Pd]Cl
• Canonical SMILES: c1ccc(nc1)c1ccccn1.Cl[Pd]Cl
• InChI: InChI=1S/C10H8N2.2ClH.Pd/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-8H;2*1H;/q;;;+2/p-2
• InChIKey: MUNARLQNCCGPQU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)pyridine; dichloropalladium
• IUPAC Traditional name: bipyridyl; palladium chloride
• Synonyms: 2,2′-Bipyridinepalladium dichloride; 2,2′-Bipyridylpalladium dichloride; Bis(2,2′-Bipyridine)palladium dichloride; Dichloro(2,2′-bipyridine)palladium; (2,2′-Bipyridine)dichloropalladium(II); (2,2′-联吡啶)二氯化钯(II)

Database IDs

• CAS Number: 14871-92-2
• MDL Number: MFCD00134305
• PubChem SID: 24862596; 162239913
• PubChem CID: 6096670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9542185
• LogD (pH = 7.4): 1.956794
• Log P: 1.9568269
• Molar Refractivity: 46.1364 cm^3
• Polarizability: 19.578226 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

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

• Empirical Formula (Hill Notation): C10H8Cl2N2Pd

DETAILS

Sigma Aldrich - 365947

Packaging
1 g in glass bottle