Cas no 130115-85-4 (5-Bromo-6-chloropyridin-3-ol)
5-Bromo-6-chloropyridin-3-ol Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-6-chloropyridin-3-ol
- 2-Chloro-3-Bromo-5-Hydroxypyridine
- 3-BROMO-2-CHLORO-5-HYDROXYPYRIDINE
- 3-Pyridinol,5-bromo-6-chloro-
- SCHEMBL115716
- 3-Pyridinol, 5-bromo-6-chloro-
- 3-bromo-2-chloropyridin-5-ol
- 5-bromo-6-chloro-3-pyridinol
- AKOS015856456
- 130115-85-4
- J-508640
- MFCD09835248
- DS-11348
- BB 0261089
- 5-bromo-6-chloropyridine-3-ol
- EN300-182962
- SY022520
- CS-W018575
- FT-0648368
- AMY10411
- XUROMMQAFZTGAW-UHFFFAOYSA-N
- DTXSID00562012
- DB-082836
-
- MDL: MFCD09835248
- Inchi: 1S/C5H3BrClNO/c6-4-1-3(9)2-8-5(4)7/h1-2,9H
- InChI Key: XUROMMQAFZTGAW-UHFFFAOYSA-N
- SMILES: BrC1=C(N=CC(=C1)O)Cl
Computed Properties
- Exact Mass: 206.90900
- Monoisotopic Mass: 206.90865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 103
- 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: 2.1
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- Boiling Point: 388.6°C at 760 mmHg
- PSA: 33.12000
- LogP: 2.20310
5-Bromo-6-chloropyridin-3-ol Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- HazardClass:IRRITANT
- Storage Condition:Inert atmosphere,2-8°C
5-Bromo-6-chloropyridin-3-ol 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-6-chloropyridin-3-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DR140-200mg |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 98% | 200mg |
165.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DR140-50mg |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 98% | 50mg |
87.0CNY | 2021-08-04 | |
| Chemenu | CM102180-1g |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 98% | 1g |
$102 | 2021-08-06 | |
| Chemenu | CM102180-5g |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 98% | 5g |
$281 | 2021-08-06 | |
| Chemenu | CM102180-10g |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 98% | 10g |
$514 | 2021-08-06 | |
| Chemenu | CM102180-25g |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 98% | 25g |
$982 | 2021-08-06 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 057355-1g |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 95% | 1g |
2778.0CNY | 2021-07-06 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 057355-5g |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 95% | 5g |
11021.0CNY | 2021-07-06 | |
| TRC | B699708-50mg |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B699708-100mg |
5-Bromo-6-chloropyridin-3-ol |
130115-85-4 | 100mg |
$ 65.00 | 2022-06-06 |
5-Bromo-6-chloropyridin-3-ol Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Additional information on 5-Bromo-6-chloropyridin-3-ol
Introduction to 5-Bromo-6-chloropyridin-3-ol (CAS No. 130115-85-4)
5-Bromo-6-chloropyridin-3-ol, identified by its Chemical Abstracts Service (CAS) number 130115-85-4, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the pyridine family, characterized by a nitrogen-containing aromatic ring, and features both bromo and chloro substituents at the 5th and 6th positions, respectively, along with a hydroxyl group at the 3rd position. The unique structural arrangement of these functional groups imparts distinct chemical properties, making it a valuable intermediate in the synthesis of various bioactive molecules.
The increasing interest in 5-Bromo-6-chloropyridin-3-ol stems from its versatility as a building block in medicinal chemistry. Pyridine derivatives are widely recognized for their role in drug development, with numerous therapeutic agents incorporating this scaffold to achieve desired pharmacological effects. The presence of bromine and chlorine atoms enhances the reactivity of the molecule, facilitating further functionalization through cross-coupling reactions such as Suzuki-Miyaura, Heck, and Buchwald-Hartwig couplings. These transformations are pivotal in constructing complex molecular architectures essential for designing novel pharmaceuticals.
Recent advancements in synthetic methodologies have further highlighted the importance of 5-Bromo-6-chloropyridin-3-ol. Researchers have demonstrated its utility in generating substituted pyridines with potential applications in oncology, anti-inflammatory, and antimicrobial therapies. For instance, studies have shown that derivatives of this compound can interact with biological targets such as kinases and transcription factors, modulating pathways involved in disease progression. The hydroxyl group at the 3-position provides a handle for further derivatization, allowing chemists to fine-tune solubility, metabolic stability, and binding affinity.
The pharmaceutical industry has leveraged 5-Bromo-6-chloropyridin-3-ol to develop lead compounds for clinical trials. Its structural features make it an attractive candidate for generating libraries of molecules with diverse pharmacological profiles. Computational modeling and high-throughput screening techniques have been employed to identify promising analogs with enhanced efficacy and reduced toxicity. These efforts align with the broader goal of accelerating drug discovery pipelines by utilizing well-characterized intermediates like 5-Bromo-6-chloropyridin-3-ol.
In addition to its pharmaceutical applications, 5-Bromo-6-chloropyridin-3-ol has found utility in materials science and agrochemical research. The halogenated pyridine scaffold serves as a precursor for synthesizing ligands used in catalysis and functional materials. Its ability to participate in metal coordination complexes has been explored in the development of novel catalysts for organic transformations. Furthermore, its derivatives exhibit herbicidal and fungicidal properties, contributing to sustainable agricultural practices.
The synthesis of 5-Bromo-6-chloropyridin-3-ol typically involves multi-step reactions starting from readily available pyridine precursors. Modern synthetic routes emphasize efficiency and sustainability, minimizing waste generation and optimizing reaction conditions. Green chemistry principles have been integrated into these processes, ensuring that the production of this compound aligns with environmental stewardship goals. Techniques such as microwave-assisted synthesis and flow chemistry have been employed to enhance yield and purity while reducing energy consumption.
The chemical reactivity of 5-Bromo-6-chloropyridin-3-ol allows for diverse functionalization strategies. For example, nucleophilic substitution reactions can be used to introduce additional substituents at positions other than 3, expanding the structural diversity of derived compounds. Palladium-catalyzed reactions enable the formation of carbon-carbon bonds, creating more complex fused ring systems or extending molecular frameworks. These synthetic possibilities underscore the compound's significance as a versatile intermediate in organic synthesis.
Future research directions may explore novel derivatives of 5-Bromo-6-chloropyridin-3-ol with enhanced bioactivity or improved pharmacokinetic profiles. Advances in biocatalysis and enzymatic engineering could provide sustainable alternatives to traditional synthetic methods. Additionally, computational approaches such as machine learning are being employed to predict molecular properties and guide the design of next-generation compounds based on existing data sets.
In conclusion,5-Bromo-6-chloropyridin-3-ol (CAS No. 130115-85-4) represents a cornerstone molecule in modern chemical research with far-reaching implications across multiple disciplines. Its unique structural features and reactivity make it indispensable for developing innovative therapeutic agents and functional materials. As scientific understanding evolves,the applications of this compound are expected to expand,driving progress in medicine,agriculture,and materials science alike.
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