Palladium, tris[mu-[(1,2-eta:4,5-eta)-(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one]]di-, compd. with trichloromethane (1:1)

HCID 11029508CAS 52522-40-4

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Grundinformationen

Standard-SMILES: ClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
InChIKey: LNAMMBFJMYMQTO-FNEBRGMMSA-N
Summenformel: C52H43Cl3O3Pd2
Durchschnittliche Molmasse: 1.035,1 g/mol
Monoisotopische Masse: 1.032,03475028

Namen und Bezeichner

Bevorzugter Name: Palladium, tris[mu-[(1,2-eta:4,5-eta)-(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one]]di-, compd. with trichloromethane (1:1)
IUPAC: chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
Englischer Name: Tris(dibenzylideneacetone)dipalladium-chloroform adduct
Summenformel: C52H31Cl3O3Pd2
Molmasse: 1023.01

Namen und Synonyme

52522-40-4DTXSID40452403Palladium, tris[mu-[(1,2-eta:4,5-eta)-(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one]]di-, compd. with trichloromethane (1:1)Palladium, tris(mu-((1,2-eta:4,5-eta)-(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one))di-, compd. with trichloromethane (1:1)RefChem:367839DTXCID30403222tris (dibenzylideneaceton)dipalladum (O) chloroform adduct610-856-2Tris(dibenylideneacetone)dipalladium-chloroformMFCD00075479tris(dibenzylideneacetone)dipalladium-chloroformchloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium

Weitere Namen anzeigen

Pd2dba3.CHCl3TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM CHLOROFORM COMPLEXTris(dibenzylideneacetone)dipalladium(0)-chloroformTris DBATRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) CHLOROFORM ADDUCTPd2(bda)3 CHCl3TRIS(DIBENZYLIDENEACETONE)(CHLOROFORM)-DI-PALLADIUM(0)chloroform,(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one,palladiumadium-chL

C52H43Cl3O3Pd2LNAMMBFJMYMQTO-FNEBRGMMSA-NPd2dba3 CHCl3Pd2 dba3 CHCl3Pd2(dba)3CHCl3Pd2(dba)3 chloroformPd2(dba)3.CHCl3Pd2 (dba) 3 CHCl3

Datenbank-Bezeichner

CAS: 52522-40-4
PubChem CID: 11029508
DTXSID: DTXSID40452403
EC Number: 610-856-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 51,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 12
Schwere Atome: 60
Formalladung: 0
Komplexität: 280

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-135 °C(lit.)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
Farbe: Purple to black
Wasserlöslichkeit: Soluble in organic solvents. Insoluble in water.
InChI: InChI=1S/3C17H10O.CHCl3.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h3*1-10H;1H;;
InChIKey: NLYJPAJWGANOKG-CXKPDERJSA-N
SMILES: C(Cl)(Cl)Cl.O=C1C2=C(C3C=CC=CC=3)[Pd]3452C(C2C=CC=CC=2)=C3C(=O)C2=C(C3C=CC=CC=3)[Pd]362(C(C2C=CC=CC=2)=C3C(=O)C4=C5C2C=CC=CC=2)C(C2C=CC=CC=2)=C16

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P317, P302+P352, P318, P319, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.