bis(chloro({5-hydroxy-2-[1-(hydroxyimino)ethyl]phenyl})palladium)

• ChemBase ID: 140953
• Molecular Formular: C16H16Cl2N2O4Pd2
• Molecular Mass: 584.05524
• Monoisotopic Mass: 581.85568436
• SMILES: C/C(=N\O)/c1c(cc(cc1)O)[Pd]Cl.C/C(=N\O)/c1c(cc(cc1)O)[Pd]Cl
• Canonical SMILES: O/N=C(/c1ccc(cc1[Pd]Cl)O)\C.O/N=C(/c1ccc(cc1[Pd]Cl)O)\C
• InChI: InChI=1S/2C8H8NO2.2ClH.2Pd/c2*1-6(9-11)7-2-4-8(10)5-3-7;;;;/h2*2,4-5,10-11H,1H3;2*1H;;/q;;;;2*+1/p-2
• InChIKey: VEJSMXSVBZMTSO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(chloro({5-hydroxy-2-[1-(hydroxyimino)ethyl]phenyl})palladium)
• IUPAC Traditional name: bis(chloro({5-hydroxy-2-[1-(hydroxyimino)ethyl]phenyl})palladium)
• Synonyms: Di-μ-chloro-bis-[5-hydroxy-2-[1-(hydroxyimino-κN)-ethyl]-phenyl-κC]-palladium(II) dimer; Di-μ-chlorobis[5-hydroxy-2-[1-(hydroxyimino-κN)ethyl]phenyl-κC]dipalladium; Nájera Catalyst II; Di-μ-chlorobis[5-hydroxy-2-[1-(hydroxyimino-κN)ethyl]phenyl-κC]palladium(II) dimer; Nájera 催化剂 II; 二-μ-氯-双-[5-羟基-2-[1-(羟基亚氨基-κN)-乙基]-苯基-κC]-钯(II)二聚物; 二-μ-氯双[5-羟基-2-[1-(羟基亚氨基-κN)乙基]苯基-κC]二钯; 二-μ-氯双[5-羟基-2-[1-(羟基亚氨基-κN)乙基]苯基-κC]钯(II)二聚物

Database IDs

• CAS Number: 419581-64-9
• MDL Number: MFCD08705289
• PubChem SID: 162235190; 24884990
• PubChem CID: 54715641

CALCULATED PROPERTIES

• Acid pKa: 8.030988
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2207404
• LogD (pH = 7.4): 1.1311126
• Log P: 1.2221
• Molar Refractivity: 47.816 cm^3
• Polarizability: 22.544426 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 251-255 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: Pd2(C8H8ClNO2)2

DETAILS

Sigma Aldrich - 668532

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Promotes the vinylation of aryl bromides and chlorides with vinylsiloxanes in the presence of aqueous NaOH.1