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1,5-Diphenylpenta-1,4-dien-3-one;palladium

HCID 154270
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
32005-36-0
표준 SMILES
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd]
InChIKey
UKSZBOKPHAQOMP-UHFFFAOYSA-N
분자식
C34H28O2Pd
평균 분자량
575 g/mol
단동위원소 질량
574.11241614

개요

Bis(1,5-diphenyl-1,4-pentadien-3-one) palladium(0) is a chemical compound of palladium. Palladium is a chemical element with the chemical symbol Pd and an atomic number of 46. It is found as a free metal alloyed with gold and other platinum group metals and in the rare minerals cooperite and polarite. (L794)

이름 및 식별자

우선 이름
1,5-Diphenylpenta-1,4-dien-3-one;palladium
IUPAC
bis(1,5-diphenylpenta-1,4-dien-3-one);palladium
영어명
Bis(dibenzylideneacetone)palladium
분자식
C34H20O2Pd
분자량
566.95

이름 및 동의어

32005-36-01,5-diphenylpenta-1,4-dien-3-one;palladiumBis((1,2,4,5-eta)-1,5-diphenyl-1,4-pentadien-3-one)palladiumC34H28O2PdPalladium(0) bis(dibenzylideneacetone)Bis(dibenzylideneacetone) Palladium(0)tris-(dibenzylideneacetone)dipalladium(0)SCHEMBL19685bis(dibenylideneacetone) palladiumbis(dibenzylidenacetone) palladiumDTXSID70953892UKSZBOKPHAQOMP-UHFFFAOYSA-N
이름 더 보기
PD(DBA)2DBaPd(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one,palladiumPd(C17H14O)2bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) palladiumBis(dibenzyLideneacetone)paLSucrose Impurity 12Bis(dba)palladium(0)
bis(dibenzylideneacetone) palladiumpalladium bis(dibenzylideneacetone)bis (dibenzylideneacetone) palladiumbis(dibenzylidene acetone) palladiumZH0006Bis-(dibenzylidene acetone) palladiumAKOS030228490bis(dibenzylideneacetone)palladium (0)

물성

구조 계산 물성

극성 표면적
34.1 Ų
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
150 °C · 150°C
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도
클로로포름(약간 용해됨)
물리적 상태
고운 가루
색상
적갈색에서 검정색까지
수용성
불용성
안정성
흡습성
InChI
InChI=1S/2C17H10O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-10H;
InChIKey
WTAPZWXVSZMMDG-JZOPPWQGSA-N
SMILES
O=C1C2=C(C3C=CC=CC=3)[Pd]34562(C(C2C=CC=CC=2)=C3C(=O)C4=C5C2C=CC=CC=2)C(C2C=CC=CC=2)=C16

화학적 성질

purple brown

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (10.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (10.8%)

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

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 · 2건

용도Hydrogenation, isomerization, carbonylation, oxidation, C-C bond formation.Bis(dibenzylideneacetone)palladium(0) is used as a reagent for the preparation of allylic substituted cyclopentadienes. It acts as a homogeneous catalyst as well as in the alkylation of allyl acetates by various nucleophiles. Further, it is used in Suzuki reaction.

일반 설명Bis(dibenzylideneacetone)palladium(0) (Pd(dba)2) is an air stable Pd0 complex. It is a reagent for the synthesis of allylic substituted cyclopentadienes. It is a homogeneous catalyst. It catalyzes the alkylation of allyl acetates by various nucleophiles under mild conditions.

상·하류 제품 정보

상류 원료

아세트산 나트륨아세토나이트릴1,3-디클로로프로판아세톤톨루엔벤즈알데하이드팔라듐 염화물메틸알콜

하류 제품

관련 반응

55건
반응 기록 만들기
HRID 9665 반응식
HRID 9665촉매로uspto-grants-2006_08
HRID 43354 반응식
HRID 43354촉매로uspto-grants-2013_09
HRID 67894 반응식
HRID 67894반응물로uspto-grants-1982_08
HRID 331139 반응식
HRID 331139촉매로uspto-grants-2014_11
HRID 369029 반응식
HRID 369029촉매로uspto-grants-2000_10
HRID 369033 반응식
HRID 369033촉매로uspto-grants-2000_10
HRID 369035 반응식
HRID 369035촉매로uspto-grants-2000_10
HRID 369038 반응식
HRID 369038촉매로uspto-grants-2000_10
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데이터베이스 식별자

CAS
32005-36-0
PubChem CID
154270
DTXSID
DTXSID70953892
EC Number
608-691-6
wgk
3
tsca
No
HS 번호
28439000
risk_code
36/38
hazard_code
Xi
safety_code
22-24/25-37/39-26
스토리지 클래스
11 - Combustible Solids
트랜스-비스(트리페닐포스핀)이염화팔라듐비스[트리스(2-메틸페닐)포스핀]팔라듐