트리스 (디 벤질 리덴 아세톤) 디 팔라듐
Bis(dibenzylideneacetone)palladium
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기본 정보
- CAS
51364-51-3- 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)
- 현지명
- 트리스 (디 벤질 리덴 아세톤) 디 팔라듐
- 영어명
- Tris(dibenzylideneacetone)dipalladium
- 분자식
- C51H42O3Pd2
- 분자량
- 915.71738
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
트리스(디벤질리덴아세톤)디팔라듐(DBA)3PD2Tris(dibenzylideneacetone)palladiumPd2(dbba)3Pd2(dibenzylideneacetone)3tris(1,5-diphenylpenta-1,4-dien-3-one) dipalladiumTris(dibenzylideneacTris(dibenzylidenaceTone) dipalladium (O)Bis(dibenzylideneacetone)palladium(0)~Pd_2(dba)_3Tris(dibenzylideneacetone)dipalladiuM (0), Pd2(dba)3
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 물성보충 중
- 극성 표면적
- 51.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 272
물리화학적 성질
- 녹는점
- 152 · 152-155°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 염소화 용매, 벤젠 및 THF에 용해됩니다.
- 물리적 상태
- 미세 결정성 분말
- 색상
- 보라색에서 검정색으로
- 수용성
- 불용성
- InChI
- InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11+,14-12+;;
- InChIKey
- IBXMKLPFLZYRQZ-VCHVFRDLSA-N
- SMILES
- [Pd].[Pd].O=C(\C=C\c1ccccc1)/C=C/c2ccccc2.O=C(\C=C\c3ccccc3)/C=C/c4ccccc4.O=C(\C=C\c5ccccc5)/C=C/c6ccccc6
화학적 성질
dark purple solid
Tris(dibenzylideneacetone)dipalladium is a dark red to brown, purple or black solid that is soluble in benzene and tetrahydrofuran. This substance is sensitive to air and moisture and should be stored in an inert gas environment at a temperature below 15°C. It is recommended to use amber glass bottles or storage containers for storage.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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
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
- tsca
- No
- HS 번호
- 2843900090
- risk_code
- 20/22-36-40
- hazard_code
- Xn
- safety_code
- 24/25-36/37
- Hazard Classifications
- Aquatic Chronic 2Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/Metabolites
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
용도Tris(dibenzylideneacetone)dipalladium is used in the preparation of semiconducting polymers processed from nonchlorinated solvents into high performance thin film transistors. It is also used as a semiconductor in the synthesis of polymer bulk-heterojunction solar cells.
일반 설명Tris(dibenzylideneacetone)dipalladium(0) (Pd2(dba)3) participates in the synthesis of azepane. Crystal structure of Pd2(dba)3 has been determined by three-dimensional X-ray data. Crystals of Pd2(dba)3 are reported to crystalize in triclinic system. It is widely used Pd(0) source in Pd-mediated transformations.
제조 방법
First reported in 1970,Tris(dibenzylideneacetone)dipalladium(0) is prepared from dibenzylideneacetone and sodium tetrachloropalladate. Because it is commonly recrystallized from chloroform, the complex is often supplied as the adduct [Pd2(dba)3·CHCl3].The purity of samples can be variable.
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