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22784-59-4 molecular structure
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benzyl(chloro)palladium; bis(triphenylphosphane)

ChemBase ID: 145788
Molecular Formular: C43H37ClP2Pd
Molecular Mass: 757.574402
Monoisotopic Mass: 756.10938812
SMILES and InChIs

SMILES:
c1ccc(cc1)C[Pd]Cl.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Pd]Cc1ccccc1
InChI:
InChI=1S/2C18H15P.C7H7.ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h2*1-15H;2-6H,1H2;1H;/q;;;;+1/p-1
InChIKey:
PVJAZFSARQVMGK-UHFFFAOYSA-M

Cite this record

CBID:145788 http://www.chembase.cn/molecule-145788.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl(chloro)palladium; bis(triphenylphosphane)
IUPAC Traditional name
benzyl(chloro)palladium; bis(triphenylphosphine)
Synonyms
Benzylbis(triphenylphosphine)palladium(II) chloride
trans-Benzyl(chloro)bis(triphenylphosphine)palladium(II)
苄基双(三苯基膦)氯化钯(II)
反式-苄基双(三苯基膦)氯化钯(II)
CAS Number
22784-59-4
MDL Number
MFCD00010395
PubChem SID
24856778
162239990
PubChem CID
11007180

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
277665 external link Add to cart Please log in.
Data Source Data ID
PubChem 11007180 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1066  LogD (pH = 7.4) 5.1066 
Log P 5.1066  Molar Refractivity 81.6229 cm3
Polarizability 32.34495 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
166-170 °C(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 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
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Linear Formula
[(C6H5)3P]2Pd(CH2C6H5)Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 277665 external link
Application
Catalyst for the cross coupling1 of alkyl-, vinyl-, alkynyl-, and allylstannane groups with acyl chlorides, allyl halides, vinyl triflates, and iodides.
Packaging
100, 500 mg in glass bottle
2.5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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