Bis(dibenzylideneacetone)palladium

HCID 9811564CAS 51364-51-3

기본 정보

표준 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
분자식: C51H42O3Pd2
평균 분자량: 915.7 g/mol
단동위원소 질량: 914.12036

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

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)

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 51.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 12
무거운 원자 수: 56
형식 전하: 0
복잡도: 272

안전 및 규제

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).

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)