Bis(dibenzylideneacetone)palladium

HCID 9811564CAS 51364-51-3

基本情報

標準SMILES: 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: CYPYTURSJDMMMP-WVCUSYJESA-N
分子式: C51H42O3Pd2
平均分子量: 915.7 g/mol
単同位体質量: 914.12036

名称と識別子

優先名称: Bis(dibenzylideneacetone)palladium
IUPAC: tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)

名称と別名

Bis(dibenzylideneacetone)palladiumRefChem:56904551364-51-3Tris(dibenzylideneacetone)dipalladium(0)tris(dibenzylideneacetone)dipalladiumpd2(dba)360748-47-2Pd2dba3MFCD00013310Tris(Dibenzylideneacetone)dipalladium (0)TRIS(DIBENZYLIDENEACETONYL)BIS-PALLADIUMTRIS DBA

名称をさらに表示

tris(dibenzylideneacetone) dipalladium(0)tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) dipalladiumtris[dibenzylideneacetone]dipalladium (0)tris-(dibenzylideneacetone)dipalladiumC51H42O3Pd2Tris(dibezylideneacetone)dipalladiumPd2 dba3tris(dibenzylideneacetone)dipalladium (o)

データベース識別子

CAS: 51364-51-3
PubChem CID: 9811564
UNII: 9QT8U6472D

物性

構造計算による物性

極性表面積: 51.2 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 12
重原子数: 56
形式電荷: 0
複雑度: 272

安全と法規制

毒性情報

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 · 1 件

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).

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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)