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| CAS No.: | 37342-97-5 |
|---|---|
| Name: | Bis(cyclopentadienyl)zirconium chloride hydride |
| Molecular Structure: | |
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|
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| Formula: | C10H11ClZr |
| Molecular Weight: | 257.87 |
| Synonyms: | Bis(cyclopentadienyl)chlorohydrozirconium;Bis(cyclopentadienyl)zirconium hydridochloride;Bis(cyclopentadienyl)zirconiummonochloride monohydride;Biscyclopentadienylzirconium chloride hydride;Chlorobis(cyclopentadienyl)hydridozirconium;Chlorobis(cyclopentadienyl)hydrozirconium;Chlorobis(h5-2,4-cyclopentadien-1-yl)hydrozirconium;Chlorobis(h5-cyclopentadienyl)hydridozirconium;Chlorobis(h5-cyclopentadienyl)hydrozirconium;Chlorodicyclopentadienylhydrozirconium;Chlorodicyclopentadienylzirconiumhydride;Chlorohydridobis(cyclopentadienyl)zirconium;Hydrozirconocenechloride;NSC 379439;Schwartz reagent;Schwartz's reagent;Zirconcene chloridehydride;Zirconcene hydride chloride;Zirconocene chloride hydride;Zirconocenehydride chloride;Zirconocene hydrochloride; |
| EINECS: | 253-479-5 |
| Melting Point: | 300 °C |
| Boiling Point: | 41.5ºC at 760 mmHg |
| Solubility: | reacts with water |
| Appearance: | white to beige powder |
| Hazard Symbols: |
 F；  C
|
| Risk Codes: | 11-15-34 |
| Safety: | 16-26-27-36/37/39-8-45 |
| Transport Information: | UN 3131 |
| PSA: | 0.00000 |
| LogP: | -0.23700 |
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dicyclopentadienylzirconium hydrochloride
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| Conditions | Yield |
|---|---|
| In tetrahydrofuran (Ar); standing (25°C, 20 h); filtn., vac. drying, crystn. (THF, 25°C); elem. anal.; | 45% |
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Zr(C5H5)2CH2Si(CH3)2NSi(CH3)3
| Conditions | Yield |
|---|---|
| In diethyl ether byproducts: LiN(Si(CH3)3)2*0.5C2H5OC2H5; org. compd. in Et2O added to suspn. of Ti complex in Et2O, mixture stirred at room temp. under Ar for 24 h; filtration, evapn., extn. (pentane), filtration, concg. in vac., cooling (-70°C), concg. of mother liquor, cooling (-70°C), sublimation (70-80°C, 0.001 mm Hg); elem. anal.; | 18% |
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Specification
The Bis(cyclopentadienyl)zirconium chloride hydride, with the CAS registry number 37342-97-5 and EINECS registry number 253-479-5, has the systematic name of chloro-di(cyclopenta-2,4-dien-1-yl)-hydrido-zirconium. It is a kind of white to beige powder, and belongs to the following product categories: Classes of Metal Compounds; Metallocenes; Reduction; Synthetic Organic Chemistry; Titanocene, etc.; Transition Metal Compounds; Zr (Zirconium) Compounds; Auxiliaries,Catalysts. And the molecular formula of the chemical is C10H11ClZr.
The characteristics of Bis(cyclopentadienyl)zirconium chloride hydride are as followings: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 0 Å2; (5) Melting Point: 300 °C.
You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical which may cause burns, and if contact with water, it will liberate extremely flammable gases. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Keep container dry.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1=CC(C=C1)[ZrH](C2C=CC=C2)Cl
(2)InChI: InChI=1/2C5H5.ClH.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-5H;1H;;/q;;;+1;/p-1/rC10H11ClZr/c11-12(9-5-1-2-6-9)10-7-3-4-8-10/h1-10,12H
(3)InChIKey: PSYHEBZUPSHSKK-GHDCKTBKAL