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13965-03-2 molecular structure
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dichloropalladium; bis(triphenylphosphane)

ChemBase ID: 64371
Molecular Formular: C36H30Cl2P2Pd
Molecular Mass: 701.896922
Monoisotopic Mass: 700.02346558
SMILES and InChIs

SMILES:
[Pd](Cl)Cl.c1(P(c2ccccc2)c2ccccc2)ccccc1.c1(P(c2ccccc2)c2ccccc2)ccccc1
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Pd]Cl
InChI:
InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
InChIKey:
YNHIGQDRGKUECZ-UHFFFAOYSA-L

Cite this record

CBID:64371 http://www.chembase.cn/molecule-64371.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichloropalladium; bis(triphenylphosphane)
IUPAC Traditional name
palladium chloride; bis(triphenylphosphine)
Synonyms
Bis(triphenylphosphine)palladium(II) chloride
Dichlorobis(triphenylphosphine)palladium(II)
Palladium(II)bis(triphenylphosphine) dichloride
Bis(triphenylphosphine)palladium(II) dichloride
PdCl2(PPh3)2
Bis(triphenylphosphine)palladium(II) dichloride impregnated tablets
ChemDose™, Bis(triphenylphosphine)palladium(II) dichloride tablets
Dichlorobis(triphenylphosphine)palladium(II) impregnated tablets
Palladium(II) bis(triphenylphosphine) dichloride impregnated tablets
PdCl2(PPh3)2 impregnated tablets
Bis(triphenylphosphine)palladium(II) dichloride, ChemDose™ tablets
Bis(triphenylphosphine)palladium(II) dichloride
三苯基膦氯化钯
二氯二(三苯基膦)钯(II)
双(三苯基膦)二氯化钯(II)
ChemDose™ 双三苯基膦二氯化钯(II)片剂
PdCl2(PPh3)2 浸渍片剂
三苯基膦氯化钯(II)浸渍片剂
二氯二(三苯基膦)钯(II) 浸渍片剂
双三苯基膦二氯化钯(II) 浸渍片剂
双三苯基膦二氯化钯(II),ChemDose™ 片剂
CAS Number
13965-03-2
EC Number
237-744-2
MDL Number
MFCD00009593
Beilstein Number
4935975
PubChem SID
162030110
24865821
24852524
24849233
24885842
PubChem CID
6102075

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
300°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Store under Argon/Hygroscopic/Moisture Sensitive expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Purity
≥98.0% (Pd) expand Show data source
≥99% trace metals basis expand Show data source
≥99.99% trace metals basis expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Matrix
Magnesium aluminometasilicate base material expand Show data source
Linear Formula
[(C6H5)3P]2PdCl2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 741248 external link
Packaging
1, 5, 25 g in glass bottle
Application
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Sigma Aldrich - 412740 external link
Application
Catalyst for C-C coupling reaction via Negishi coupling, Suzuki coupling, Sonogashira coupling, and Heck coupling reaction.
Cross-coupling catalyst.
One-pot synthesis of furoquinolines via Pd-catalyzed Sonogashira coupling followed by Cu(I)- catalyzed ring closure. Catalyst for Sonogashira coupling of aryl alkynes to 2-bromothiazole and 2-bromothiophene.
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Packaging
1, 5 g in glass bottle
25 g in poly bottle
250 mg in glass bottle
Sigma Aldrich - 685607 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Legal Information
ChemDose is a trademark of Reaxa Ltd.
Sigma Aldrich - 208671 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Palladium-catalyzed coupling of iodo-α-β-unsaturated esters to afford tetrasubstituted olefins1
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Packaging
1, 5, 25, 100 g in glass bottle
Sigma Aldrich - 15253 external link
Other Notes
Review1
Application
Application Guide for Palladium Catalyzed Cross-Coupling Reactions

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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