二氯二茂锆

二氯二茂锆用途

1.橡胶促进剂。乙烯型单体聚合催化剂系统的组分。抗水聚硅氧烷材料固化剂。

2.二氯二茂锆是制备各种类型的正二价锆和正四价锆衍生物的重要原料；与有机金属试剂如烷基铝、锌、镁结合使用能高立体选择性和区域选择性地催化不饱和化合物的烷基化反应；与MAO结合则能催化实现聚合反应。

二氯二茂锆是制备Zr^IV和Zr^II衍生物的重要原料，如与LiAlH₄或LiEt₃BH₄反应制备的Schwartz试剂 (式1，式2)，是一个广泛使用的氢锆化试剂。

二氯二茂锆与包含Li、Na、K、Mg的有机金属试剂能发生转移金属化反应 (式3)，得到各种类型取代的二茂锆化合物Cp₂ZrR₂(R=烷基、烯丙基、苄基、烯基、芳基和炔基)。

在二氯二茂锆的催化下，能够立体选择性和区域选择性地实现有机金属试剂对不饱和化合物的加成反应 (式4)，这在有机合成中具有非常重要的价值。二氯二茂锆也能催化烯烃底物的碳金属化反应，如与烷基镁试剂作用实现的碳镁化反应 (式5)。该反应经历了与炔烃碳金属化反应完全不同的历程。

在两当量的丁基锂作用下，二氯二茂锆能够被还原为正二价的Cp₂Zr(II) 或其等价体二丁基二茂锆Cp₂ZrBu₂(式6)。

正二价的Cp₂Zr(II) 能与一系列不饱和化合物如炔烃、烯烃、亚胺和氮杂二烯反应发生配体交换，得到各种类型的二茂锆配合物 (式7~式9)，进而与质子、碘或二氧化碳反应制备各种取代产物，如用于非共轭二烯、烯炔和二炔的分子内成环反应 (式10)。

在二氯二茂锆、二氯甲烷(或二溴甲烷)和锌粉作用体系下，能够实现羰基化合物如醛、酮和烯酮的亚甲基化反应 (式11)。

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二氯二茂锆名称

[ CAS 号 ]:
1291-32-3

[ 中文名 ]:
二氯二茂锆

[ 英文名 ]:
Bis(cyclopentadienyl)zirconium dichloride

[中文别名 ]:

[英文别名 ]:

MFCD00003726
Bis(cyclopentadienyl)zirconium(IV) dichloride
Di(cyclopentadienyl)zirconium(IV) dichloride
Zirconium dicyclopentadiene dichloride
Dichlorodicyclopentadienylzirconium
Dichlorozirconocene
EINECS 215-066-8
Zirconocene dichloride
Bis(cyclopentadienyl)zirconium Dichloride

二氯二茂锆物理化学性质

[ 沸点 ]:
41.5ºC at 760 mmHg

[ 熔点 ]:
242-245ºC

[ 分子式 ]:
C₁₀H₂Cl₂Zr

[ 分子量 ]:
284.25300

[ 闪点 ]:
124-125°C/15mm

[ 精确质量 ]:
281.85800

[ LogP ]:
3.29540

[ 外观性状 ]:
白色至淡米色晶体或粉末

[ 储存条件 ]:
Refrigerator (+4°C)

[ 水溶解性 ]:
hydrolysis

二氯二茂锆MSDS

二氯二茂锆毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZH7525000

CHEMICAL NAME :: Zirconium, dichloro-di-pi-cyclopentadienyl-

CAS REGISTRY NUMBER :: 1291-32-3

LAST UPDATED :: 199712

DATA ITEMS CITED :: 23

MOLECULAR FORMULA :: C10-H10-Cl2-Zr

MOLECULAR WEIGHT :: 292.32

WISWESSER LINE NOTATION :: L50J 0-ZR-GG- 0L50J

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 30 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 333 ug/plate

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11(Suppl 12),1,1988 *** REVIEWS *** ACGIH TLV-TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 5 mg(Zr)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,285,1971 OSHA PEL (Gen Indu):8H TWA 5 mg(Zr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 5 mg(Zr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 5 mg(Zr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 5 mg(Zr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 5 mg(Zr)/m3;STEL 10 mg(Zr)/m3 JAN 1993 OEL-BELGIUM:TWA 5 mg(Zr)/m3;STEL 10 mg(Zr)/m3 JAN 1993 OEL-DENMARK:TWA 5 mg(Zr)/m3 JAN 1993 OEL-FINLAND:TWA 5 mg(Zr)/m3 JAN 1993 OEL-GERMANY:TWA 5 mg(Zr)/m3 JAN 1993 OEL-HUNGARY:STEL 5 mg(Zr)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 5 mg(Zr)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 5 mg(Zr)/m3 JAN 1993 OEL-SWITZERLAND:TWA 5 mg(Zr)/m3 JAN 1993 OEL-TURKEY:TWA 5 mg(Zr)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 5 mg(Zr)/m3;STEL 10 mg(Zr)/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV

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二氯二茂锆安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant;

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36

[ 危险品运输编码 ]:
UN3261

[ WGK德国 ]:
3

[ RTECS号 ]:
ZH7525000

[ 包装等级 ]:
II

[ 海关编码 ]:
2903890090

二氯二茂锆合成路线

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二氯二茂锆上游产品

二氯二茂锆下游产品

二氯二茂锆海关

[ 海关编码 ]: 2903890090

[ 中文概述 ]:
2903890090. 其他环烷烃、环烯烃或环萜烯烃的卤化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2903890090. halogenated derivatives of cyclanic, cyclenic or cyclotherpenic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

二氯二茂锆文献

Unusual temperature effects in propene polymerization using stereorigid zirconocene catalysts.

ChemPhysChem 6(9) , 1929-33, (2005)

Free Car-Parrinello molecular dynamics (CPMD) simulations of four diastereomers of the zirconium-propene complexes [{iPr(3-iPr-CpFlu)}ZriBu(C3H6)]+ (Cp=cyclopentadienyl; Flu=fluorenyl) provide valuabl...

Enantioselective route from carbohydrates to cyclooctane polyols.

Org. Lett. 7(3) , 511-3, (2005)

[reaction: see text] A synthetic route to select cyclooctane-1,2,3-triols and 1,2,3,4,5-pentaols has been defined. The starting materials are d-glucose or d-arabinose, and the key steps consist of a z...

Functionalised cyclopentadienyl zirconium compounds as potential anticancer drugs.

Dalton Trans. (39) , 5293-5, (2008)

New neutral and ionic functionalised zirconocene dichloride compounds have been isolated and characterised. The ionic zirconocene exhibits excellent cytotoxicity against a range of human tumour cell l...

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