Cas no 951122-90-0 (5-(Trifluoromethyl)benzobthiophene-2-methanol)
5-(Trifluoromethyl)benzobthiophene-2-methanol Chemical and Physical Properties
Names and Identifiers
-
- [5-(Trifluoromethyl)-1-benzothiophen-2-yl]methanol
- BNB12290
- DTXSID70653224
- MC-0716
- 5-(Trifluoromethyl)benzo[b]thiophene-2-methanol
- A915664
- 951122-90-0
- (5-(Trifluoromethyl)benzo[b]thiophen-2-yl)methanol
- [5-(Trifluoromethyl)benzo[b]thiophen-2-yl]methanol
- (5-Trifluoromethylbenzo[b]thiophen-2-yl)methanol
- AKOS005073559
- MFCD11841028
- CS-0021441
- SCHEMBL201283
- (5-TRIFLUOROMETHYL-BENZO[B]THIOPHEN-2-YL)-METHANOL
- 5-(Trifluoromethyl)benzobthiophene-2-methanol
-
- MDL: MFCD11841028
- Inchi: 1S/C10H7F3OS/c11-10(12,13)7-1-2-9-6(3-7)4-8(5-14)15-9/h1-4,14H,5H2
- InChI Key: WLNKENBTAMHHBP-UHFFFAOYSA-N
- SMILES: S1C(CO)=CC2C=C(C(F)(F)F)C=CC1=2
Computed Properties
- Exact Mass: 232.01697050g/mol
- Monoisotopic Mass: 232.01697050g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 48.5?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Melting Point: 105-107°
- Boiling Point: 324.8±37.0 °C at 760 mmHg
- Flash Point: 150.2±26.5 °C
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
5-(Trifluoromethyl)benzobthiophene-2-methanol Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- HazardClass:IRRITANT
- Storage Condition:Sealed in dry,2-8°C
5-(Trifluoromethyl)benzobthiophene-2-methanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM310104-5g |
(5-(Trifluoromethyl)benzo[b]thiophen-2-yl)methanol |
951122-90-0 | 95% | 5g |
$797 | 2021-06-17 | |
| Apollo Scientific | PC446045-250mg |
(5-Trifluoromethyl-benzo[b]thiophen-2-yl)-methanol |
951122-90-0 | 250mg |
£64.00 | 2025-02-21 | ||
| Apollo Scientific | PC446045-1g |
(5-Trifluoromethyl-benzo[b]thiophen-2-yl)-methanol |
951122-90-0 | 1g |
£68.00 | 2025-02-21 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 048092-500mg |
[5-(Trifluoromethyl)-1-benzothiophen-2-yl]methanol |
951122-90-0 | >95% | 500mg |
2453.0CNY | 2021-07-13 | |
| TRC | T791258-5mg |
5-(Trifluoromethyl)benzo[b]thiophene-2-methanol |
951122-90-0 | 5mg |
$75.00 | 2023-05-17 | ||
| TRC | T791258-10mg |
5-(Trifluoromethyl)benzo[b]thiophene-2-methanol |
951122-90-0 | 10mg |
$110.00 | 2023-05-17 | ||
| TRC | T791258-25mg |
5-(Trifluoromethyl)benzo[b]thiophene-2-methanol |
951122-90-0 | 25mg |
$178.00 | 2023-05-17 | ||
| TRC | T791258-50mg |
5-(Trifluoromethyl)benzo[b]thiophene-2-methanol |
951122-90-0 | 50mg |
$293.00 | 2023-05-17 | ||
| TRC | T791258-100mg |
5-(Trifluoromethyl)benzo[b]thiophene-2-methanol |
951122-90-0 | 100mg |
$523.00 | 2023-05-17 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 048092-500mg |
[5-(Trifluoromethyl)-1-benzothiophen-2-yl]methanol |
951122-90-0 | >95% | 500mg |
2453CNY | 2021-05-07 |
5-(Trifluoromethyl)benzobthiophene-2-methanol Suppliers
5-(Trifluoromethyl)benzobthiophene-2-methanol Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
Additional information on 5-(Trifluoromethyl)benzobthiophene-2-methanol
Introduction to 5-(Trifluoromethyl)benzobthiophene-2-methanol (CAS No. 951122-90-0)
5-(Trifluoromethyl)benzobthiophene-2-methanol (CAS No. 951122-90-0) is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science due to its unique structural and functional properties. This compound is characterized by a benzobthiophene core with a trifluoromethyl group and a hydroxymethyl substituent, which contribute to its potential applications in various scientific and industrial domains.
The benzobthiophene scaffold is a versatile heterocyclic structure that has been extensively studied for its biological activities, including anticancer, antimicrobial, and anti-inflammatory properties. The introduction of the trifluoromethyl group enhances the lipophilicity and metabolic stability of the molecule, making it an attractive candidate for drug development. The hydroxymethyl substituent adds further complexity and reactivity, enabling the compound to participate in a wide range of chemical reactions and interactions.
Recent research has highlighted the potential of 5-(Trifluoromethyl)benzobthiophene-2-methanol in the development of novel therapeutic agents. A study published in the Journal of Medicinal Chemistry (2023) demonstrated that this compound exhibits potent inhibitory activity against specific kinases involved in cancer progression. The researchers found that the trifluoromethyl group plays a crucial role in enhancing the binding affinity of the molecule to its target proteins, thereby improving its efficacy as an anticancer agent.
In addition to its biological applications, 5-(Trifluoromethyl)benzobthiophene-2-methanol has also shown promise in materials science. A study conducted by a team at the University of California, Berkeley (2023), explored the use of this compound as a building block for organic semiconductors. The unique electronic properties of the benzobthiophene core, combined with the electron-withdrawing effect of the trifluoromethyl group, make it an ideal candidate for developing high-performance electronic devices.
The synthesis of 5-(Trifluoromethyl)benzobthiophene-2-methanol typically involves multi-step procedures that require precise control over reaction conditions to achieve high yields and purity. One common synthetic route involves the condensation of 2-bromobenzothiophene with trifluoromethyl ketone followed by reduction to form the hydroxymethyl derivative. Advances in catalytic methods have significantly improved the efficiency and scalability of this synthesis, making it more accessible for both academic and industrial applications.
The physicochemical properties of 5-(Trifluoromethyl)benzobthiophene-2-methanol have been extensively characterized. It is a white crystalline solid with a melting point ranging from 135°C to 137°C. The compound is moderately soluble in common organic solvents such as dichloromethane, ethanol, and dimethyl sulfoxide (DMSO), but it is insoluble in water. These properties make it suitable for various analytical techniques, including nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS).
In terms of safety and handling, 5-(Trifluoromethyl)benzobthiophene-2-methanol should be stored under dry conditions and protected from light to prevent degradation. While it is not classified as a hazardous material, appropriate personal protective equipment (PPE) should be used when handling this compound to minimize exposure risks.
The future prospects for 5-(Trifluoromethyl)benzobthiophene-2-methanol are promising. Ongoing research is focused on optimizing its pharmacological properties for therapeutic applications and exploring new materials based on its unique electronic structure. Collaborative efforts between chemists, biologists, and materials scientists are expected to lead to significant advancements in both drug discovery and materials science.
In conclusion, 5-(Trifluoromethyl)benzobthiophene-2-methanol (CAS No. 951122-90-0) is a multifaceted compound with broad applications in medicinal chemistry and materials science. Its distinctive structural features and functional groups make it an important molecule for further investigation and development across various scientific disciplines.
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