HuagongsheHuagongshe Chemistry Print Report · For research reference only
Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
(NHC)Pd(allyl)Cl · PALLADIUM(II) · -2-yL · Allyl[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloropalladium(II) · Umicore CX21 · ALLYLCHLORO[1,3-BIS(2 · imidazol-2-ylidene]palladium(II) · UMicore CX21, 18% Pd, Product of UMicore
Identifiers & Physical Properties
| CAS No. | 16065-88-6 |
|---|---|
| Molecular formula | Pd+2 |
| Average molar mass | 106.42 g/mol |
| Monoisotopic mass | 105.90238884 g/mol |
| SMILES | [Pd+2] |
| InChIKey | MUJIDPITZJWBSW-UHFFFAOYSA-N |
| PubChem CID | 105144 |
| EC No. | 625-870-4 |
| DTXSID | DTXSID10936361 |
Chemical & Physical Properties
| Topological polar surface area | 0 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 0 |
| Heavy atoms | 1 |
| Formal charge | 2 |
| Complexity | 0 |
| Melting point | 190°C (dec.) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Physical state | Powder |
| Color | white |
| InChI | InChI=1S/Pd/q+2 |
| InChIKey | MUJIDPITZJWBSW-UHFFFAOYSA-N |
| SMILES | [Pd+2] |
| UNSPSC Code | 12161600 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39-36/37 |
| Water hazard class (WGK) | 3 |
| Customs code | 28439000 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH252 (34.4%): Self-heating in large quantitiesmay catch fire [Warning Self-heating substances and mixtures]P235, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Self-heat. 2 (34.4%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 28439000 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39-36/37 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II) is used as a catalyst for the arylation of ketones, Suzuki coupling reaction, Buchwald-Hartwig amination reaction, dehalogenation of aryl chlorides, and oxidation of secondary alcohols.
General Description
Allyl[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloropalladium(II) is an air-stable, well-defined palladium N-heterocyclic carbene complex, which can efficiently catalyze α-arylation of ketones.