palladiumdicarbonitrile

• ChemBase ID: 145935
• Molecular Formular: C2N2Pd
• Molecular Mass: 158.4548
• Monoisotopic Mass: 157.90963401
• SMILES: C(#N)[Pd]C#N
• Canonical SMILES: N#C[Pd]C#N
• InChI: InChI=1S/2CN.Pd/c2*1-2
• InChIKey: WDXPAFYMKZQTHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: palladiumdicarbonitrile
• IUPAC Traditional name: palladiumdicarbonitrile
• Synonyms: Palladium(II) cyanide; 氰化钯(II)

Database IDs

• CAS Number: 2035-66-7
• EC Number: 217-999-6
• MDL Number: MFCD00016282
• PubChem SID: 162240135; 24864735
• PubChem CID: 74855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2198
• LogD (pH = 7.4): -0.2198
• Log P: -0.2198
• Molar Refractivity: 13.3112 cm^3
• Polarizability: 9.0863 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1588
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26/27/28-32-50/53
• Safety Statements: 7-28-29-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H400
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1588 6.1/PG 1
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: Pd(CN)2

DETAILS

Sigma Aldrich - 398292

Application
Effective catalyst for the quantitative and stereospecific ring opening of oxiranes.1
Packaging
1, 5 g in glass bottle