(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium (HCID 6505921)

이름 및 식별자

우선 이름: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium
IUPAC: bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium
영어명: Tris(dibenzylideneacetone)dipalladium
분자식: C51H42O3Pd2
분자량: 915.71738

이름 및 동의어

52409-22-0(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; PalladiumRefChem:392699620-687-632005-36-0Bis(dibenzylideneacetone)palladium(0)PD(DBA)2MFCD00051942(1E,4E)-Bis(dibenzylideneacetone)palladiumC34H28O2Pd190385-99-0Bis(dibenzylideneacetone)palladium (Technical Grade)

이름 더 보기

Pd(dba)3PALLADIUM(0) BIS(DIBENZYLIDENEACETONE)Bis(dibenzylideneacetone)dipalladiumTris(dibenzylideneacetone)diplalladium(I)tris(dibenzylideneacetone)dipalladium(o)(pd2(dba)3)Tris(dibenzylideneacetoneTris(dibenzylideneacetone)dipalladiumBIS(DIBENZYLIDENEACETONE) PALLADIUM(0)Tris(dibenzilideneacetone)dipalladium(0)

60748-47-2TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(O)SCHEMBL2438441bis(dibenzylideneactone)palladiumbis (dibenzylideneacetone)palladiumbis(dibenzylidene acetone)palladiumbis(dibenzylidene-acetone)palladiumbis(dibenzylideneacetone)-palladium

데이터베이스 식별자

CAS: 52409-22-0
PubChem CID: 6505921
EC Number: 620-687-6

물성

구조 계산 물성

극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 272

물리화학적 성질

녹는점: 152 · 152-155 °C(lit.)
저장 조건: 2 · 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

GHS Classification · 5건

Danger

H228 (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.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 1 (50%)；Acute Tox. 4 (75%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (25%)；Eye Irrit. 2 (25%)；Acute Tox. 4 (75%)

독성 정보

Health EffectsContact with palladium may cause palladium sensitivity and allergy. Animal studies have shown that palladium may damage the liver and kidney. (L798)

Toxicity Summary · 1건

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 SymptomsSkin contact with palladium may cause contact dermatitis, erythema, and oedema. (L798)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk: 3
risk_code: 36/38
hazard_code: Xi
safety_code: 22-24/25

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Palladium may be absorbed through oral, dermal, and inhalation exposure. Once in the body it distributes to the kidney, liver, spleen, lymph nodes, adrenal gland, lung and bone. Palladium's ability to form complexes allows it the bind to amino acids, proteins, DNA, and other macromolecules. Palladium and its metabolites are excreted in the urine and faeces. (A21)

응용 분야 · 1건

용도Tris(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