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18987-59-2 molecular structure
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bis(chloro({2-[(dimethylamino)methyl]phenyl})palladium)

ChemBase ID: 148697
Molecular Formular: C18H24Cl2N2Pd2
Molecular Mass: 552.14256
Monoisotopic Mass: 549.93862614
SMILES and InChIs

SMILES:
CN(C)Cc1ccccc1[Pd]Cl.CN(C)Cc1ccccc1[Pd]Cl
Canonical SMILES:
Cl[Pd]c1ccccc1CN(C)C.Cl[Pd]c1ccccc1CN(C)C
InChI:
InChI=1S/2C9H12N.2ClH.2Pd/c2*1-10(2)8-9-6-4-3-5-7-9;;;;/h2*3-6H,8H2,1-2H3;2*1H;;/q;;;;2*+1/p-2
InChIKey:
DSRDIGYUGAOPJI-UHFFFAOYSA-L

Cite this record

CBID:148697 http://www.chembase.cn/molecule-148697.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(chloro({2-[(dimethylamino)methyl]phenyl})palladium)
IUPAC Traditional name
bis(chloro({2-[(dimethylamino)methyl]phenyl})palladium)
Synonyms
Di-μ-chlorobis[2-[(dimethylamino)methyl]phenyl-C,N]dipalladium(II)
Di-μ-氯二[2-[(二甲氨基)甲基]苯基-C,N]二钯(II)
CAS Number
18987-59-2
PubChem SID
24862423
162242872
PubChem CID
11092864

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
364282 external link Add to cart Please log in.
Data Source Data ID
PubChem 11092864 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.27984482  LogD (pH = 7.4) 1.8506237 
Log P 2.1236  Molar Refractivity 50.1533 cm3
Polarizability 23.64452 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
175 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C18H24Cl2N2Pd2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 364282 external link
Packaging
1 g in glass bottle
Application
Catalyst for:
• Oxidative allylic C-H silylation1
• Transesterification reactions2
• Suzuki-Miyaura cross-coupling reactions3
• Stereocontrolled homologation of carbon chain boronic esters using Hoppe′s lithiated carbamates4
• Oxidative carbonylation reactions5
• Buchwald-Hartwig reactions6
• Mizoroki-Heck reaction7

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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