Titanocene dichloride - ≥97% , CAS No.1271-19-8

CAS: 1271-19-8 Cat. No.: T106759 Peso molecular: 248.96 Número EC: 215-035-9 PubChem CID: 5284468

GRADE & PURITY ≥97%

Synonyms

Cp2TiCl2 | NCGC00091634-01 | bis(cyclopentadienyl)titanium(iv)dichloride | dicyclopenta-1,3-dien-1-yltitanium(2+) dichloride | Bis(cyclopentadienyl)titanium dichloride | SCHEMBL184055 | AKOS024437549 | BIS(CYCLOPENTA-1,3-DIEN-1-YL)TITANIUMBIS(YLIUM) DICHL

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Cp2TiCl2 | NCGC00091634-01 | bis(cyclopentadienyl)titanium(iv)dichloride | dicyclopenta-1, 3-dien-1-yltitanium(2+) dichloride | Bis(cyclopentadienyl)titanium dichloride | SCHEMBL184055 | AKOS024437549 | BIS(CYCLOPENTA-1, 3-DIEN-1-YL)TITANIUMBIS(YLIUM) DICHL

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504763490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763490
• Sonrisas canónicas: C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4]
• IUPAC Name: cyclopenta-1,3-diene;titanium(4+);dichloride
• InChIKey: JAGHDVYKBYUAFD-UHFFFAOYSA-L
• INCHI: 1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
• Isómeros SMILES: C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4]
• WGK Alemania: 3
• RTECS: XR2050000
• PubChem CID: 5284468
• Número ONU: 3261
• Grupo de embalaje: I
• Peso molecular: 248.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Organic transition metal salts Organic metal halides Unsaturated aliphatic hydrocarbons Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Organic metal halide - Organic transition metal salt - Cycloalkene - Unsaturated aliphatic hydrocarbon - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic cation - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in Alcohol,Chloroform,Toluene; Very slightly soluble in Benzene,Ether
• Sensibilidad: Moisture & Air Sensitive
• Punto de fusión (°C): 289-291°C
• Peso molecular: 248.960 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 247.964 Da
• Monoisotopic Mass: 247.964 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3

Referencias

1. Lifen Su, Xiaoyu Liu, Wei Xia, Bin Wu, Changjiang Li, Bo Xu, Bin Yang, Ru Xia, Jianhua Zhou, Jiasheng Qian, Lei Miao.  (2023)  Simultaneous photothermal and photocatalytic MOF- derived C/TiO2 composites for high-efficiency solar driven purification of sewage.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37437441] [10.1016/j.jcis.2023.07.014]

2. Xin Zhang, Yukai Lin, Lingchao Zhang, Zhenguo Huang, Limei Yang, Zhenglong Li, Yaxiong Yang, Mingxia Gao, Wenping Sun, Hongge Pan, Yongfeng Liu.  (2023)  Hydrogen-assisted one-pot synthesis of ultrasmall TiC nanoparticles enhancing hydrogen cycling of sodium alanate.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.142199]

3. Menghan Qin, Yumiao Shi, Dingkun Lu, Jingjing Deng, Guoyue Shi, Tianshu Zhou.  (2022)  High-performance Hf/Ti-doped defective Zr-MOFs for cefoperazone adsorption: Behavior and mechanisms.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.153494]

4. Zeng Xingye, Adesina Adeyemo, Li Ping, Wang Hanlu, Zhou Rujin.  (2022)  Enhanced adsorptive-oxidative desulfurization of dibenzothiophene over Ti-MWW using cumene hydroperoxide as oxidant.  KOREAN JOURNAL OF CHEMICAL ENGINEERING,  39  (1): (96-108).  [PMID:] [10.1007/s11814-021-0844-y]

5. Bingying Jia, Miaojiang Wu, Hua Zhang, Yi Zeng, Gongying Wang.  (2019)  Ti functionalized hierarchical-pore UiO-66(Zr/Ti) catalyst for the transesterification of phenyl acetate and dimethyl carbonate.  NEW JOURNAL OF CHEMISTRY,  43  (43): (16981-16989).  [PMID:] [10.1039/C9NJ04241E]

6. Xin Zhang, Zhuanghe Ren, Xuelian Zhang, Mingxia Gao, Hongge Pan, Yongfeng Liu.  (2019)  Triggering highly stable catalytic activity of metallic titanium for hydrogen storage in NaAlH4 by preparing ultrafine nanoparticles.  Journal of Materials Chemistry A,  7  (9): (4651-4659).  [PMID:] [10.1039/C9TA00748B]

7. Xin Zhang, Zhuanghe Ren, Yunhao Lu, Jianhua Yao, Mingxia Gao, Yongfeng Liu, Hongge Pan.  (2018)  Facile Synthesis and Superior Catalytic Activity of Nano-TiN@N–C for Hydrogen Storage in NaAlH4.  ACS Applied Materials & Interfaces,      [PMID:29668259] [10.1021/acsami.8b04011]

8. Sun Huaming, Lin Dezhi, Gao Ziwei.  (2016)  Preparation and characterization of layered carbon hybrid framework materials pillared with titanocene.  JOURNAL OF POROUS MATERIALS,  24  (2): (291-296).  [PMID:] [10.1007/s10934-016-0262-4]

9. Xiao-Shui Li, Ya-Ni Pan, Yong Zhao, Bi-Feng Yuan, Lin Guo, Yu-Qi Feng.  (2013)  Preparation of titanium-grafted magnetic mesoporous silica for the enrichment of endogenous serum phosphopeptides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:24090595] [10.1016/j.chroma.2013.09.057]

10. Dan Wang, Wenjing Cai, Qiuxiang Feng, Feng Cao, Qianli Zhang, Qiang Xu, Li Li, Jie Liu.  (2025)  A Zr/Ti-based bimetallic AO-UiO-66 framework for effective uptake of radioactive iodine.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D5NJ00548E]

11. Yu-Teng Zhang, Jing- Yu Sun, Jian Li, De-Sheng Wei, Wan-Yi Lan, Nan Lv, Shuang-Bao Li.  (2025)  In Situ Assembly of Ti-Zr Bimetallic Organic Cages towards High-Performance Photocatalytic Degradation of Tetracycline Hydrochloride.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144139]