Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium
PD(DBA)2 · Pd(dba)3 · PALLADIUM(0) BIS(DIBENZYLIDENEACETONE) · Bis(dibenzylideneacetone)dipalladium · Tris(dibenzylideneacetone)diplalladium(I) · tris(dibenzylideneacetone)dipalladium(o)(pd2(dba)3) · Tris(dibenzylideneacetone · Tris(dibenzylideneacetone)dipalladium
식별자 및 물리적 특성
| CAS No. | 52409-22-0 |
|---|---|
| 분자식 | C34H28O2Pd |
| 평균 분자량 | 575 g/mol |
| 단동위원소 질량 | 574.11241 g/mol |
| SMILES | O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd] |
| InChIKey | UKSZBOKPHAQOMP-SVLSSHOZSA-N |
| PubChem CID | 6505921 |
| EC No. | 620-687-6 |
화학 및 물리적 성질
| 극성 표면적 | 34.1 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 37 |
| 형식 전하 | 0 |
| 복잡도 | 272 |
| 녹는점 | 152-155 °C(lit.) |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| InChI | InChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h2*1-14H/b2*13-11+,14-12+ |
| InChIKey | UKSZBOKPHAQOMP-SVLSSHOZSA-N |
| SMILES | [Pd].C(=C/C1=CC=CC=C1)\C(/C=C/C1=CC=CC=C1)=O.C(=C/C1=CC=CC=C1)\C(/C=C/C1=CC=CC=C1)=O |
안전 및 규제
| GHS 분류 | DangerH228 (50%): Flammable solid [Danger Flammable solids]H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Sol. 1 (50%)Acute Tox. 4 (75%)Acute Tox. 4 (25%)Skin Irrit. 2 (25%)Eye Irrit. 2 (25%) |
| 건강 영향 | Contact with palladium may cause palladium sensitivity and allergy. Animal studies have shown that palladium may damage the liver and kidney. (L798) |
| 독성 요약 | Due to their ability to form strong complexes with both inorganic and organic ligands, palladium ions can disturb cellular equilibria, replace other essential ions, and interact with functional groups of macromolecules, such as proteins or DNA. Palladium complexes binding to DNA and RNA leads to strand breakage. Palladium ions are able to inhibit most major cellular functions, including DNA and RNA synthesis. Palladium compounds have been shown to bind to and inhibit various enzymes, including creatine kinase and prolyl hydroxylase. (L798) |
| Signs and Symptoms | Skin contact with palladium may cause contact dermatitis, erythema, and oedema. (L798) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 36/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25 |
용도
용도
Tris(dibenzylideneacetone)dipalladium is used as a source of soluble Pd(0), in particular as a catalyst for various coupling reactions. Examples of reactions using this reagent are the Negishi coupling, Suzuki coupling, Carroll rearrangement, and Trost asymmetric allylic alkylation, as well as Buchwald–Hartwig amination