Cas no 312739-90-5 (Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct)
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct Chemical and Physical Properties
Names and Identifiers
-
- Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct
- BIS(PENTAMETHYLCYCLOPENTADIENYL)BARIUM
- BIS(PENTAMETHYLCYCLOPENTADIENYL)BARIUM D
- MFCD02684523
- 312739-90-5
-
- MDL: MFCD02684523
- Inchi: 1S/2C10H15.C4H10O2.Ba/c2*1-6-7(2)9(4)10(5)8(6)3;1-5-3-4-6-2;/h2*1-5H3;3-4H2,1-2H3;
- InChI Key: DZXDVUMISXFTCZ-UHFFFAOYSA-N
- SMILES: C1(C)(C(C)=C(C)C(C)=C1C)[Ba]C1(C)C(C)=C(C)C(C)=C1C.C(OC)COC
Computed Properties
- Exact Mass: 498.20800
- Monoisotopic Mass: 408.14
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 484
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Color/Form: Odourless powder
- Density: Not available
- Melting Point: Not available
- Boiling Point: Not available
- Flash Point: 120?°F
- PSA: 18.46000
- LogP: 7.08060
- Solubility: Not determined
- Vapor Pressure: Not available
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number:UN1564
- WGK Germany:1
- Hazard Category Code: 20/22
- Safety Instruction: S28
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Risk Phrases:R20/22
- Packing Group:III
- Safety Term:6.1
- Packing Group:III
- Hazard Level:6.1
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | 43639-1g |
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct |
312739-90-5 | 1g |
¥1369.00 | 2023-04-13 | ||
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | 43639-5g |
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct |
312739-90-5 | 5g |
¥5500.00 | 2023-04-13 | ||
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | 43639-250mg |
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct |
312739-90-5 | 250mg |
¥466.00 | 2023-04-13 | ||
| Cooke Chemical | F019622-250mg |
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct |
312739-90-5 | Null | 250mg |
RMB 660.80 | 2025-02-21 | |
| Cooke Chemical | F019622-1g |
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct |
312739-90-5 | Null | 1g |
RMB 1940.00 | 2025-02-21 | |
| Cooke Chemical | F019622-5g |
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct |
312739-90-5 | Null | 5g |
RMB 7795.20 | 2025-02-21 |
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
Additional information on Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct
Introduction to Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct (CAS No. 312739-90-5)
Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct, a compound with the chemical formula Ba(C5H9)2·(C4H10O2), is a highly specialized organometallic complex that has garnered significant attention in the field of advanced materials and catalysis. This compound, identified by its CAS number 312739-90-5, is particularly notable for its unique electronic properties and its potential applications in various industrial and academic research settings.
The structure of Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct consists of a barium center coordinated to two pentamethylcyclopentadienyl (PMCP) ligands, which are stabilized by a bidentate chelating effect. The 1,2-dimethoxyethane (DME) adduct serves as a solvent and ligand, enhancing the solubility and reactivity of the complex. This unique architecture makes it an excellent candidate for applications in organic synthesis, polymer chemistry, and as a catalyst in various chemical transformations.
In recent years, there has been a growing interest in the use of organometallic compounds like Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct in the development of novel materials. The compound's ability to facilitate cross-coupling reactions, such as Suzuki-Miyaura and Negishi couplings, has made it a valuable tool in pharmaceutical synthesis. These reactions are crucial for the construction of complex organic molecules, including many drug candidates that are currently under investigation.
The electronic properties of Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct have also been extensively studied. The PMCP ligands contribute to the compound's high oxidative stability and its ability to act as a potent electron donor. This characteristic has opened up possibilities for its use in organic light-emitting diodes (OLEDs), photovoltaic cells, and other electronic devices where efficient charge transfer is essential.
Recent research has demonstrated the compound's efficacy in promoting polymerization reactions. Specifically, it has been found to enhance the polymerization of certain monomers under mild conditions, leading to polymers with tailored properties. This application is particularly relevant in the development of advanced materials for use in coatings, adhesives, and specialty plastics.
The versatility of Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct is further highlighted by its role as a precursor in the synthesis of more complex organometallic species. For instance, it can be used to generate other barium complexes that exhibit different reactivities and selectivities. These derivatives have potential applications in fine chemical synthesis and in the preparation of functional materials.
In summary, Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct (CAS No. 312739-90-5) is a multifaceted compound with significant implications in both academic research and industrial applications. Its unique structure and reactivity make it an invaluable tool for chemists working in organometallic chemistry, catalysis, and materials science. As research continues to uncover new applications for this compound, its importance is likely to grow even further.
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