Palladium, [1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-|EN)-, (SP-4-1)-

HCID 166607373CAS 1814936-54-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC(CCC)c1cccc(C(CCC)CCC)c1N1CN(c2c(C(CCC)CCC)cccc2C(CCC)CCC)C(Cl)=C1Cl.Clc1cccnc1.[Cl][Pd][Cl]
InChIKey
JISKAUJJVRZVFY-UHFFFAOYSA-L
Molecular formula
C48H72Cl5N3Pd
Average molar mass
974.8 g/mol

Names & identifiers

Preferred name
Palladium, [1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-|EN)-, (SP-4-1)-
IUPAC
3-chloropyridine;4,5-dichloro-1,3-bis[2,6-di(heptan-4-yl)phenyl]-2H-imidazole;dichloropalladium
English name
Pd-PEPPSI-IHeptCl
Molecular formula
C48H70Cl5N3Pd
Molecular weight
972.78

Names & synonyms

1814936-54-3MFCD34645989Palladium, [1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-|EN)-, (SP-4-1)-(SP-4-1)-[1,3-Bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-|EN)-Palladium(SP-4-1)-[1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-N)palladium[1,3-Bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidaZol-2-ylidene]dichloro(3-chloropyridinyl)-PdPd-PEPPSI-IPentClPEPPSI-Pd(SP-4-1)-[1,3-Bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-κN)-PalladiumPEPPSI IHept-Cl[1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-imidazol-2-ylidene]-dichloro-(3-chloropyridin-1-ium-1-yl)palladium1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-imidazol-2-ylidene]-dichloro-palladium,3-chloropyridine
Show more names
Palladium, [1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-κN)-, (SP-4-1)-Pd-PEPPSI-iHeptCl1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-imidazol-2-ylidene]-dichloro-palladium(S-P-4-1)-[1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazole-2-ylisoyl]dichloro(3-chloropyridine-Κ-N)paladium

Database identifiers

CAS
1814936-54-3
PubChem CID
166607373
EC Number
118-423-5

Properties

Computed structural properties

Topological polar surface area
19.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
22
Heavy atoms
57

Physicochemical properties

storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
InChIKey
SUPHIWDWMSOJRK-UHFFFAOYSA-L
SMILES
[Pd+4](N1=CC=CC(Cl)=C1)(=[C-2]1N(C2C(=CC=CC=2C(CCC)CCC)C(CCC)CCC)C(Cl)=C(Cl)N1C1C(=CC=CC=1C(CCC)CCC)C(CCC)CCC)([Cl-])[Cl-]

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Chemistry & industry

Applications · 1 item

Uses(SP-4-1)-[1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylylene]dichloro(3-chloropyridine-KN)palladium is a transition metal palladium complex. Literature reports that this complex can be used to catalyze cross-coupling reactions of organohalides and organic amines, and it has certain applications in the field of basic organic chemistry research.

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
上海铂之泉科技有限公司13681726990 13681726990 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
南京修合医药科技有限公司19848384152 · [email protected]

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