dichloropalladium; ethane-1,2-diamine

• ChemBase ID: 149889
• Molecular Formular: C2H8Cl2N2Pd
• Molecular Mass: 237.42432
• Monoisotopic Mass: 235.90993963
• SMILES: C(CN)N.Cl[Pd]Cl
• Canonical SMILES: NCCN.Cl[Pd]Cl
• InChI: InChI=1S/C2H8N2.2ClH.Pd/c3-1-2-4;;;/h1-4H2;2*1H;/q;;;+2/p-2
• InChIKey: CAYKJANQVKIYPJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloropalladium; ethane-1,2-diamine
• IUPAC Traditional name: ethylenediamine; palladium chloride
• Synonyms: Dichloro(1,2-diaminoethane)palladium; NSC 153155; NSC 209490; Dichloro(ethylenediamine)palladium(II); Palladium(II) chloride ethylenediamine complex; (Ethylenediamine)palladium(II) chloride; 乙二胺氯化钯(II); 二氯(乙二胺)合钯(II); 乙二胺氯化钯

Database IDs

• CAS Number: 15020-99-2
• MDL Number: MFCD00044991
• Beilstein Number: 4934132
• PubChem SID: 24845520; 162244051; 24880765; 24864867
• PubChem CID: 11139157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >278 °C(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: ≥98.0% (Pd); ≥99.99%; 99%
• Grade: for synthesis; purum
• Linear Formula: Pd(H2NCH2CH2NH2)Cl2

DETAILS

Sigma Aldrich - 574902

Packaging
1 g in glass bottle
Application
Catalyst for:
• Synthesis of 6-(substituted benzyl)imidazo[2,1-b][1,3]thiazole1
• Sonogashira-coupling reactions2,3Reactant for:
• Self-assembly of a ring-in-ring complex4
• Metal binding with glycose phosphates5
• Synthesis of mixed-mtal, mixed-pyrimidine self-assembling metallacalix[n]arenes6

Sigma Aldrich - 400076

Packaging
1 g in glass bottle
Application
Catalyst for:
• Synthesis of 6-(substituted benzyl)imidazo[2,1-b][1,3]thiazole1
• Sonogashira-coupling reactions2,3Reactant for:
• Self-assembly of a ring-in-ring complex4
• Metal binding with glycose phosphates5
• Synthesis of mixed-mtal, mixed-pyrimidine self-assembling metallacalix[n]arenes6

Sigma Aldrich - 03590

Other Notes
Preparation and study of palladium complexes7,8
Application
Catalyst for:
• Synthesis of 6-(substituted benzyl)imidazo[2,1-b][1,3]thiazole1
• Sonogashira-coupling reactions2,3Reactant for:
• Self-assembly of a ring-in-ring complex4
• Metal binding with glycose phosphates5
• Synthesis of mixed-mtal, mixed-pyrimidine self-assembling metallacalix[n]arenes6