| Identification | Back Directory | [Name]
BIS(CYCLOPENTADIENYL)ZIRCONIUM DIHYDRIDE | [CAS]
37342-98-6 | [Synonyms]
ZIRCONCENE DIHYDRIDE
ZIRCONOCENE DIHYDRIDE
DI(CYCLOPENTADIENYL)ZIRCONIUM DIHYDRIDE
BIS(CYCLOPENTADIENYL)ZIRCONIUM DIHYDRIDE
Bis(cyclopentadienyl)zirconium(Ⅳ)dihydride
Bis(cyclopentadienyl)zirconiuM dihydride 1GR
BIS(CYCLOPENTADIENYL)ZIRCONIUM(IV) DIHYDRIDE
di(cyclopenta-1,3-dien-1-yl)zirconiuM(IV) hydride
Di(cyclopentadienyl)zirconium dihydride, Zirconocene dihydride | [Molecular Formula]
C10H12Zr 10* | [MDL Number]
MFCD04126436 | [MOL File]
37342-98-6.mol | [Molecular Weight]
223.43 |
| Chemical Properties | Back Directory | [Appearance]
White powder, discolors on air exposure | [storage temp. ]
Flammables + water-Freezer (-20°C)e area | [solubility ]
insol common solvents | [form ]
Powder | [Water Solubility ]
It reacts with water. | [Sensitive ]
Air & Moisture Sensitive | [InChI]
1S/2C5H5.Zr.2H/c2*1-2-4-5-3-1;;;/h2*1-5H;;; | [InChIKey]
VQFBYDXAIAGBFA-UHFFFAOYSA-N | [SMILES]
[H][Zr][H].[CH]1[CH][CH][CH][CH]1.[CH]2[CH][CH][CH][CH]2 | [CAS DataBase Reference]
37342-98-6 |
| Hazard Information | Back Directory | [Chemical Properties]
White powder, discolors on air exposure | [Physical properties]
Physical Data of BIS(CYCLOPENTADIENYL)ZIRCONIUM DIHYDRIDE: polymeric in solid and dimeric [Cp2ZrH(μ-H)]2 in benzene or toluene. The polymeric nature of [Cp2ZrH2]n is suggested by its involatility, insolubility, and insusceptibility to reaction in air. The presence of a ZrH-Zr bridging system is inferred from the intense broad IR absorption band at 1520 cm-1. | [Uses]
BIS(CYCLOPENTADIENYL)ZIRCONIUM DIHYDRIDE is a catalyst for hydrogenation of alkenes and alkynes in combination with hydrogen; catalyst for Meerwein-Ponndorf-Verley type reduction and Oppenauer type oxidation; catalyst for crossed-aldol condensation; catalyst for Tishchenko reaction; reducing agent for organohalogen compounds. | [Uses]
Bis(cyclopentadienyl)zirconium dihydride, is used as a pharmaceutical intermediate and in chemical industry. | [Preparation]
Preparative Methods of BIS(CYCLOPENTADIENYL)ZIRCONIUM DIHYDRIDE: the following method is convenient for the preparation of Cp2ZrH2. μ-Oxobis[chlorobis(η5-
cyclopentadienyl)zirconium] ([Cp2ZrCl]2O) is prepared by the reaction of
Dichlorobis(cyclopentadienyl)zirconium (Cp2ZrCl2), available from commercial sources, in dichloromethane and
water in aniline. To a solution of [Cp2ZrCl]2O in THF is added dropwise Lithium Aluminum Hydride in THF
with stirring under an argon atmosphere. The reaction mixture is stirred for ca. 8 h at rt, filtered, and then washed
with THF to give the Cp2ZrH2 complex as a white solid (eq 1)[1].
 | [reaction suitability]
core: zirconium
reagent type: catalyst | [storage]
BIS(CYCLOPENTADIENYL)ZIRCONIUM DIHYDRIDE is photosensitive and hydrolyzed by water; should be stored in the dark under an argon atmosphere. | [References]
1. Wailes, P. C.; Weigold, H. Inorg. Synth. 1990, 28, 257. |
| Safety Data | Back Directory | [Hazard Codes ]
F,C | [Risk Statements ]
11-15-34 | [Safety Statements ]
16-26-27-36/37/39 | [RIDADR ]
UN 3131 4.3/PG 2
| [WGK Germany ]
3
| [F ]
8-10 | [HazardClass ]
4.3 | [PackingGroup ]
II | [HS Code ]
29319090 | [Storage Class]
4.3 - Hazardous materials which set free flammable gases upon contact with water | [Hazard Classifications]
Skin Corr. 1B
Water-react 2 |
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