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이염화지르코노센

Di(cyclopenta-2,4-dien-1-yl)zirconium(IV) chloride

HCID 53384629
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
1291-32-3
표준 SMILES
[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIKey
QMBQEXOLIRBNPN-UHFFFAOYSA-L
분자식
C10H10Cl2Zr
평균 분자량
292.31 g/mol
단동위원소 질량
289.920654

개요

See also: Zirconocene, dichloride (preferred).

이름 및 식별자

우선 이름
Di(cyclopenta-2,4-dien-1-yl)zirconium(IV) chloride
IUPAC
bis(cyclopenta-1,3-diene);zirconium(4+);dichloride
현지명
이염화지르코노센
영어명
Bis(cyclopentadienyl)zirconium dichloride
분자식
C10H10Cl2Zr
분자량
292.32

이름 및 동의어

MFCD00003726SCHEMBL14060248SCHEMBL41956998dichloro dicyclopentadienyl zirconiumbiscyclopentadienylzirconium dichlorideZ0007Di(cyclopenta-2,4-dien-1-yl)zirconium(IV) chloride이염화지르코노센지르코노센 다이클로라이드ZIRCONOCENE DICHLORIDEzirconoceneBIS(CYCLOPENTADIENYL)ZIRCONIUM(IV) DICHLORIDE
이름 더 보기
Bis(cyclopentadienyl)zirconium dichloridDicyclopentadienyldichlorozirconiumBis(cycLbis(ηopentadienyL)zirconium dichLDichlorozirconocene

데이터베이스 식별자

CAS
1291-32-3
PubChem CID
53384629

물성

구조 계산 물성

극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
13
형식 전하
0
복잡도
53.3

물리화학적 성질

녹는점
242 · 242-245 °C(lit.)
끓는 점
124 · 124-125°C/15mm
인화점
124 · 124-125°C/15mm
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태
가루
색상
흰색에서 황백색까지
수용성
가수 분해
InChI
InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChIKey
QRUYYSPCOGSZGQ-UHFFFAOYSA-L
SMILES
[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr](Cl)Cl |^1:0,1,2,3,4,5,6,7,8,9|
NIST
Bis(cyclopentadienyl)zirconium dichloride(1291-32-3)
EPA
Zirconocene dichloride (1291-32-3)

화학적 성질

Bis(cyclopentadienyl)zirconium dichloride is a white crystals. Soluble in polar organic solvents. Stable in dry air, very slowly hydrolyzes in moist air.

안전 및 규제

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
ZH7525000
ridadr
UN3261
HS 번호
29319090
risk_code
36/37/38-34
hazard_code
Xi
safety_code
26-36-45-36/37/39
포장분류
II
위험 등급
8
F 고인화성물질
8-10-21
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요Bis(cyclopentadienyl)zirconium(IV) Dichloride or zirconocene dichloride is one of numerous organo-metallic compounds (also known as metalorganic, organo-inorganic and metallo-organic compounds) sold by American Elements under the trade name AE Organo-MetallicsTM. As is the case for other transition metal metallocenes, bis(cyclopentadienyl)zirconium(IV) dichloride is most often used as a catalyst.

용도Bis(cyclopentadienyl)zirconium dichloride is used for for Stereoselective Glycosidation. It is also used in the catalyzed transamidation of primary amides with amines. Zirconocene dichloride can also be used to prepare the Negishi reagent,in oxidative cyclisation reactions. Other applications include it is used to promote greener amidations of carboxylic acids and amines in catalytic amounts. This technology avoids the requirement of preactivation of the carboxylic acid or use of coupling reagents.

일반 설명This product has been enhanced for catalytic efficiency.

제조 방법 · 1건

Synthesis of zirconium dichlorodichlorideA stirring magnet was placed in a 500 mL three-necked flask, fitted with a constant pressure dropping funnel and reflux condenser, evacuated, and replaced with pure nitrogen three times. The flask was added with 50mL of toluene and 22.3g (0.1mol) of ZrCl4, and the suspension was made by turning on the stirring. Add the THF solution of sodium cyclopentadienylide to a constant pressure dropping funnel, add dropwise at room temperature, keep the reaction solution slightly boiling, after the dropwise addition, continue the reaction for 2h. Under the heating of oil bath at 50℃, evaporate the solvent under reduced pressure to obtain a yellow solid. Put the solid into a soxhlet extractor and extract with CHCl3. Most of the solvent in the extract was evaporated under reduced pressure, and the solid was precipitated after cooling and filtered. The product was washed with a small amount of CHCl3 and dried under vacuum, yielding 20.2g of white crystals, 69% yield.

상·하류 제품 정보

하류 제품

zirconocene

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