Bis(cyclopentadienyl)titanium(IV) dichloride 二氯二茂钛
CAS 1271-19-8 MFCD00003723
化学结构图
SMILES: Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1
化学属性
| Mol. Formula | C10H10Cl2Ti |
|---|---|
| Mol. Weight | 248.96 |
| Density | 1.6 |
| Solubility | Slightly soluble in water |
| TSCA | Yes |
| Melting Point | 260-280 |
| Stability | 对空气敏感，对湿度敏感 |
| Appearance | red xtl. |
别名和识别编码
| Chemical Name | Bis(cyclopentadienyl)titanium(IV) dichloride |
|---|---|
| Synonym | 二氯双(η5-2,4-环戊二烯-1-基)钛 Dichlorotitanocene DI(CYCLOPENTADIENYL)TITANIUM(IV) DICHLORIDE bis(eta(5)-cyclopentadienyl)titaniumdichloride Bis(π-cyclopentadienyl)titanium dichloride Dichlorobis(1,3-cyclopentadiene)titanium b Dichlorobis(1,3-cyclopentadiene)titanium Dichlorodicyclopentadienyltitanium Dichlorotitanocene -Cyclopentadienyl) {Chemicalbook} Dichlorodi-pi-cyclopentadienyltitanium BIS(CYCLOPENTADIENYL)TITANIUM(IV) DICHLORIDE 双(环戊二烯基)二氯化钛(IV) (DICYCLOPE Titanium, dichlorobis[η5-2,4-cyclopentadien-1-yl]- BIS(CYCLOPENTADIENYL)TITANIUM DICHLORIDE dichlorobis( DICHLORODICYCLOPENTADIENYLTITANIUM Dichlorobis(cyclopentadienyl)titanium 双(环戊二烯基)二氯化钛，二氯双(η5-2 bis(η-cyclopentadienyl)-titaniumchloride |
| CAS Number | 1271-19-8 |
| EC Number | 215-035-9 |
| Beilstein Registry Number | 2384789 |
| MDL Number | MFCD00003723 |
| Merck Number | 9482 |
| PubChem Substance ID | 5284468 |
| Chemical Name Translation | 二氯二茂钛 |
| Wiswesser Line Notation | L50J 0-TI-GG- 0L50J |
| LabNetwork Molecule ID | LN00235684 |
| InChI | InChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+4/p-2 |
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分类
- {SNA} Catalysis and Inorganic Chemistry, Chemical Synthesis, Titanium
- {uni_hamburg} no charge; metal-organic; other heterocycle; carbocycle; alicycle; fused rings; 3ring; 4ring; 5ring; 6ring; 1fragment; zwitterion
产品应用
- 用于丁苯嵌段共聚物加氢，也用在苯甲醛和溴甲基丙烯酸合成α-γ-丁内酯。
相关文献及参考
- For use, in combination with Mg metal, in formation of titanocycle intermediates, see: J. Org. Chem., 63, 9285 (1998); for reaction scheme, see Triphosgene, A14932.
- Reacts with Grignard reagents with a ß-hydrogen atom (e.g. isobutyl or isopropyl) to form, in a catalytic cycle, a titanium hydride species, which reduces aldehydes, ketones and esters to alcohols: Tetrahedron Lett., 21, 2171, 2175 (1980). The same combination effects regioselective cis-hydromagnesation of alkynes to give alkenyl Grignard reagents: Tetrahedron Lett., 22, 85 (1981); J. Chem. Soc., Chem. Commun., 718 (1981). For application in a highly stereospecific synthesis of vinylsilanes in excellent yields, see: Tetrahedron Lett., 24, 1041 (1983):
- For further examples of the hydroxymagnesation of alkynes, see: Org. Synth. Coll., 8, 507 (1993). Similarly π-allyl complexes with 1,3-dienes can be generated, which react regio-and stereo-selectively with aldehydes to give homoallylic alcohols: J. Chem. Soc., Chem. Commun., 621 (1984):
- A similar reagent can be prepared by reaction with the Simmons-Smith adduct (see Diiodomethane, A15457) and used for the methylenation of ketones in excellent yields: Tetrahedron Lett., 24, 2043 (1983).
- Merck: 14,9482 Beilstein: 16,IV,1769
- Short: III/20b
- Short: III/35D5
- Short: III/10a
- In combination with trimethyaluminum, generates an ylide (Tebbe reagent): J. Am. Chem. Soc., 100, 3611 (1978), which transfers a methylene group not only to aldehydes and ketones (cf Wittig reaction) but also to the carbonyl groups of esters and lactones: J. Am. Chem. Soc., 102, 3270 (1980):
- Merck: 14,9482
安全信息
GHS Symbol
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S6 Keep under ... (inert gas to be specified by the manufacturer) 将该物质保存在生产厂家指定的惰性气体中；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S7/8 Keep container tightly closed and dry 保存在严格密闭容器中，保持干燥；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
- R34 Causes burns 会导致灼伤
- R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
- R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
- R33 Danger of cumulative effects 有累积作用的危险
- R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P304+P340+P312
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P305+P351+P338
- P302+P352+P312+P362+P364
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P305+P351+P338+P337+P313
- P301+P312+P330
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- H315 Causes skin irritation 会刺激皮肤
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H302+H312+H332
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 720 mg/kg/2Y-I TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Blood - lymphoma, including Hodgkin's disease Tumorigenic - tumors at site of application REFERENCE : NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 900 mg/kg/2Y-I TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Musculoskeletal - tumors Tumorigenic - tumors at site of application REFERENCE : PWPSA8 Proceedings of the Western Pharmacology Society. (Univ. of California Dept. of Pharmacology, Los Angeles, CA 90024) V.1- 1958- Volume(issue)/page/year: 14,68,1971
TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 430 mg/kg/81W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - lymphoma, including Hodgkin's disease Tumorigenic - tumors at site of application REFERENCE : NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Franc
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 26 gm/kg/2Y-I TOXIC EFFECTS : Tumorigenic - equivo
TYPE OF TEST : TD - Toxic
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 25 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 60 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) REFERENCE : NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 180 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00774
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 100 ug/plate REFERENCE : ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 5(Suppl 1),3,1983
TYPE OF TEST : Morphological transformation TEST SYSTEM : Rodent - rat Embryo DOSE/DURATION : 2960 ug/L REFERENCE : JJIND8 JNCI, Journal of the National Cancer Institute. (Washington, DC) V.61-79, 1978-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 67,1303,1981
TYPE OF TEST : Morphological transformation TEST SYSTEM : Rodent - mouse Fibroblast DOSE/DURATION : 800 ug/L REFERENCE : JJIND8 JNCI, Journal of the National Cancer Institute. (Washington, DC) V.61-79, 1978-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 67,1303,1981
TYPE OF TEST : Morphological transformation TEST SYSTEM : Rodent - hamster Embryo DOSE/DURATION : 100 ug/L REFERENCE : JJIND8 JNCI, Journal of the National Cancer Institute. (Washington, DC) V.61-79, 1978-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 67,1303,1981
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE : 60 mg/kg SEX/DURATION : female 10 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 33,171,1984
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE : 30 mg/kg SEX/DURATION : female 10 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 33,171,1984
其他信息
- F:8-10-21
- Acros Organics:二氯二茂钛 Bis(cyclopentadienyl)titanium dichloride, 97%(1271-19-8)
- 图谱信息:二氯二茂钛(1271-19-8)核磁图( 1 HNMR) 二氯二茂钛(1271-19-8)红外图谱(IR1) 二氯二茂钛(1271-19-8)质谱(MS)
- MOL 文件:1271-19-8.mol
- 海关编码:29310095
- 外观性质:在水中慢慢分解,溶于芳香烃、THF、卤化溶剂、乙脲。微溶于氯仿，乙醇< 1mg/L,丙酮< 1mg/L。熔点：289-291℃密度:1.6
- 用途一:是一种高效加氢催化剂，主要用于烯烃聚合及加氢反应中，医药上可作为一种高效低毒的活性物质
- MSDS 信息:Titanocene dichloride(1271-19-8).msds
- 用途二:用于丁苯嵌段共聚物加氢，也用在苯甲醛和溴甲基丙烯酸合成α-γ-丁内酯。
- TSCA:Yes
- TCI Shanghai:二氯双(环戊二烯基)钛 Titanocene Dichloride,>;95.0%(T)(1271-19-8)
- 在水中慢慢分解,溶于芳香烃、THF、卤化溶剂、乙脲。微溶于氯仿，乙醇< 1mg/L,丙酮< 1mg/L。
- Alfa Aesar:双(环戊二烯)二氯化钛,99+% Bis(cyclopentadienyl)titanium dichloride, 99+%(1271-19-8)
- 敏感性:Air & Moisture Sensitive
- Sigma Aldrich:1271-19-8(sigmaaldrich)
- 二氯二茂钛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0616 二氯二茂钛 Titanocene Dichloride 5G 252元 2014/06/02 T0616 二氯二茂钛 Titanocene Dichloride 25G 661元 2010/06/21 215760100 二氯二茂钛 Bis(cyclopentadienyl)titanium dichloride 97% 10 GR 376元
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