Cas no 436799-32-5 (5-Bromo-2-trifluoromethylpyridine)
5-Bromo-2-trifluoromethylpyridine Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-2-(trifluoromethyl)pyridine
- 5-bromo-2-trifluoromethyl pyridine
- 2-Trifluoromethyl-5-bromopyridine
- 5-Bromo-2-trifluoromethylpyridine
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- MDL: MFCD06657686
- Inchi: 1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H
- InChI Key: RPFAUCIXZGMCFN-UHFFFAOYSA-N
- SMILES: BrC1=CN=C(C(F)(F)F)C=C1
Computed Properties
- Exact Mass: 224.94000
- Monoisotopic Mass: 224.94
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 136
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.5
- Topological Polar Surface Area: 12.9A^2
Experimental Properties
- Color/Form: White to Yellow Solid
- Density: 1.707
- Melting Point: 41-45?°C
- Boiling Point: 78°C/25mmHg(lit.)
- Flash Point: Fahrenheit: 172.4 ° f
Celsius: 78 ° c - Refractive Index: 1.471
- PSA: 12.89000
- LogP: 2.86290
- Solubility: Not determined
5-Bromo-2-trifluoromethylpyridine Security Information
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Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H301,H315,H319,H335
- Warning Statement: P261,P301+P310,P305+P351+P338
- Hazardous Material transportation number:UN 2811 6.1/PG 3
- WGK Germany:3
- Hazard Category Code: 25-36/37/38
- Safety Instruction: S26-S36/37/39-S37
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Hazardous Material Identification:
- HazardClass:IRRITANT
- PackingGroup:III
- Storage Condition:Store at room temperature
- Risk Phrases:R25; R36/37/38
5-Bromo-2-trifluoromethylpyridine Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-Bromo-2-trifluoromethylpyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 013952-1g |
5-Bromo-2(trifluoromethyl)pyridine |
436799-32-5 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 013952-5g |
5-Bromo-2(trifluoromethyl)pyridine |
436799-32-5 | 98% | 5g |
£23.00 | 2022-03-01 | |
| Fluorochem | 013952-10g |
5-Bromo-2(trifluoromethyl)pyridine |
436799-32-5 | 98% | 10g |
£36.00 | 2022-03-01 | |
| Fluorochem | 013952-25g |
5-Bromo-2(trifluoromethyl)pyridine |
436799-32-5 | 98% | 25g |
£89.00 | 2022-03-01 | |
| AstaTech | 66787-5/G |
TRIFLUOROMETHYL-5-BROMOPYRIDINE |
436799-32-5 | 97% | 5g |
$65 | 2023-09-16 | |
| AstaTech | 66787-25/G |
TRIFLUOROMETHYL-5-BROMOPYRIDINE |
436799-32-5 | 97% | 25g |
$194 | 2023-09-16 | |
| AstaTech | 66787-4*25/G |
TRIFLUOROMETHYL-5-BROMOPYRIDINE |
436799-32-5 | 97% | 4*25/G |
$485 | 2022-06-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B122682-100g |
5-Bromo-2-trifluoromethylpyridine |
436799-32-5 | 98% | 100g |
¥2599.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B122682-1g |
5-Bromo-2-trifluoromethylpyridine |
436799-32-5 | 98% | 1g |
¥62.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B122682-25g |
5-Bromo-2-trifluoromethylpyridine |
436799-32-5 | 98% | 25g |
¥689.90 | 2023-09-04 |
5-Bromo-2-trifluoromethylpyridine Suppliers
5-Bromo-2-trifluoromethylpyridine Related Literature
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Prashant Kumar,Sriparna Dutta,Sandeep Kumar,Vijay Bahadur,Erik V. Van der Eycken,Karani Santhanarishnan Vimaleswaran,Virinder S. Parmar,Brajendra K. Singh Org. Biomol. Chem. 2020 18 7987
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Kate M. Clapham,Andrei S. Batsanov,Martin R. Bryce,Brian Tarbit Org. Biomol. Chem. 2009 7 2155
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Luca Capaldo,Lorenzo Lafayette Quadri,Davide Ravelli Green Chem. 2020 22 3376
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Leo A. Joyce,Danielle?M. Schultz,Edward C. Sherer,Justin L. Neill,Reilly E. Sonstrom,Brooks H. Pate Chem. Sci. 2020 11 6332
Additional information on 5-Bromo-2-trifluoromethylpyridine
Recent Advances in the Application of 5-Bromo-2-trifluoromethylpyridine (CAS: 436799-32-5) in Chemical Biology and Pharmaceutical Research
5-Bromo-2-trifluoromethylpyridine (CAS: 436799-32-5) is a versatile heterocyclic compound that has garnered significant attention in chemical biology and pharmaceutical research due to its unique structural and electronic properties. This compound serves as a critical building block in the synthesis of various bioactive molecules, including pharmaceuticals, agrochemicals, and materials. Recent studies have highlighted its potential in drug discovery, particularly in the development of kinase inhibitors, antiviral agents, and fluorinated analogs for enhanced pharmacokinetic properties.
One of the key applications of 5-Bromo-2-trifluoromethylpyridine is its role as an intermediate in the synthesis of trifluoromethyl-substituted pyridine derivatives. These derivatives are increasingly important in medicinal chemistry due to the trifluoromethyl group's ability to improve metabolic stability, lipophilicity, and binding affinity. Recent research has demonstrated the utility of this compound in the synthesis of novel kinase inhibitors, where the bromo and trifluoromethyl groups facilitate selective modifications for target engagement.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers utilized 5-Bromo-2-trifluoromethylpyridine as a precursor for the development of potent and selective JAK2 inhibitors. The study reported that the incorporation of this scaffold led to improved inhibitory activity and reduced off-target effects compared to earlier analogs. The bromo substituent allowed for further functionalization via cross-coupling reactions, enabling the rapid generation of diverse compound libraries for structure-activity relationship (SAR) studies.
Another notable application of 5-Bromo-2-trifluoromethylpyridine is in the field of antiviral research. A recent publication in Bioorganic & Medicinal Chemistry Letters described its use in the synthesis of novel non-nucleoside reverse transcriptase inhibitors (NNRTIs) for HIV treatment. The trifluoromethyl group was found to enhance the compounds' resistance to metabolic degradation, while the bromo substituent provided a handle for further derivatization to optimize binding interactions with the target enzyme.
Beyond its pharmaceutical applications, 5-Bromo-2-trifluoromethylpyridine has also been employed in materials science. Researchers have explored its use in the synthesis of fluorinated liquid crystals and organic semiconductors, where the trifluoromethyl group contributes to improved thermal stability and electronic properties. A 2022 study in Advanced Materials demonstrated that derivatives of this compound could serve as efficient electron-transporting materials in organic light-emitting diodes (OLEDs).
In conclusion, 5-Bromo-2-trifluoromethylpyridine (CAS: 436799-32-5) continues to be a valuable tool in chemical biology and pharmaceutical research. Its unique structural features enable the development of diverse bioactive molecules with enhanced properties, making it a key intermediate in drug discovery and materials science. Future research is expected to further expand its applications, particularly in the design of targeted therapies and advanced functional materials.
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