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419581-64-9 molecular structure
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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 and InChIs

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

Cite this record

CBID:140953 http://www.chembase.cn/molecule-140953.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
419581-64-9
MDL Number
MFCD08705289
PubChem SID
24884990
162235190
PubChem CID
54715641

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
668532 external link Add to cart Please log in.
Data Source Data ID
PubChem 54715641 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.030988  H Acceptors
H Donor LogD (pH = 5.5) 1.2207404 
LogD (pH = 7.4) 1.1311126  Log P 1.2221 
Molar Refractivity 47.816 cm3 Polarizability 22.544426 Å3
Polar Surface Area 52.82 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
251-255 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
98% expand Show data source
Linear Formula
Pd2(C8H8ClNO2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 668532 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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