Cas no 67233-85-6 (Sodium 5-Nitroguaiacolate)
Sodium 5-Nitroguaiacolate Chemical and Physical Properties
Names and Identifiers
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- Sodium 2-methoxy-5-nitrophenolate
- 5-Nitroguaiacol sodium salt
- 2-Methoxy-5-nitrophenol, sodium salt
- Sodium 5-nitroguaiacolate
- 5-Nitroguaiacanol Sodium Salt
- 2-Methoxy-5-nitrophenol Sodium Salt
- Atonik
- Atonik G
- Atonik (old)
- 5-Nitroguaiacol sodium
- Sodium 2-methoxy-5-nitrophenoxide
- EPA Pesticide Chemical Code 129075
- Phenol, 2-methoxy-5-nitro-, sodium salt
- A1RBP9328O
- sodium;2-methoxy-5-nitrophenolate
- sodium 2-methoxy-5-nitro-phenolate
- 2-Methoxy-5-nitrophenol,sodium salt
- C7H6NNaO4
- DSSTox_CID_15790
- DSSTox_GSID_35790
- 5-nitro-2-methoxyp
- Sodium Nitrophenolate Atonik
- Sodium 5-Nitroguaiacolate
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- MDL: MFCD00070570
- Inchi: 1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1
- InChI Key: KBRKFTKQRMYINW-UHFFFAOYSA-M
- SMILES: [Na+].O(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 191.01900
- Monoisotopic Mass: 191.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 167
- Covalently-Bonded Unit Count: 2
- 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: nothing
- Topological Polar Surface Area: 78.1
Experimental Properties
- Color/Form: Powder.
- Melting Point: 105-106 oC
- Boiling Point: 291°C at 760 mmHg
- Flash Point: 147.1 °C
- Water Partition Coefficient: dissolution
- PSA: 78.11000
- LogP: 2.27040
- Solubility: Soluble in water.
Sodium 5-Nitroguaiacolate Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- WGK Germany:1
- Safety Instruction: S22; S24/25
- RTECS:SL7807000
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Hazardous Material Identification:
- Storage Condition:Store at room temperature
Sodium 5-Nitroguaiacolate Customs Data
- HS CODE:2942000000
- Customs Data:
China Customs Code:
2909500000Overview:
2909500000. Ether phenol\Ether alcohol phenol and its halogenation\sulfonation\Nitrosative or nitrosative derivatives. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
Sodium 5-Nitroguaiacolate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019145715-500g |
Sodium 2-methoxy-5-nitrophenolate |
67233-85-6 | 97% | 500g |
$873.72 | 2023-09-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | N832488-100g |
5-Nitroguaiacol Sodium Salt |
67233-85-6 | 98% | 100g |
1,171.00 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | CDS013563-1G |
5-nitroguaiacol sodium salt |
67233-85-6 | 1g |
¥952.83 | 2023-11-09 | ||
| TRC | S960108-250mg |
Sodium 5-Nitroguaiacolate |
67233-85-6 | 250mg |
$ 57.00 | 2023-09-06 | ||
| TRC | S960108-500mg |
Sodium 5-Nitroguaiacolate |
67233-85-6 | 500mg |
$ 80.00 | 2023-09-06 | ||
| TRC | S960108-2.5g |
Sodium 5-Nitroguaiacolate |
67233-85-6 | 2.5g |
$ 98.00 | 2023-09-06 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S67150-25g |
Sodium 2-methoxy-5-nitrophenolate |
67233-85-6 | 25g |
¥199.0 | 2021-09-07 | ||
| eNovation Chemicals LLC | D606828-50g |
2-Methoxy-5-nitrophenol sodium salt |
67233-85-6 | 97% | 50g |
$260 | 2024-06-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | VJ830-1g |
Sodium 5-Nitroguaiacolate |
67233-85-6 | 98.0%(T) | 1g |
¥144.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | VJ830-5g |
Sodium 5-Nitroguaiacolate |
67233-85-6 | 98.0%(T) | 5g |
¥432.0 | 2022-06-10 |
Sodium 5-Nitroguaiacolate Suppliers
Sodium 5-Nitroguaiacolate Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
Additional information on Sodium 5-Nitroguaiacolate
Sodium 5-Nitroguaiacolate (CAS No. 67233-85-6): A Comprehensive Overview
Sodium 5-Nitroguaiacolate, with the chemical formula C?H?NO?Na, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal research. This compound, identified by its unique CAS number 67233-85-6, has garnered attention due to its potential applications in various biochemical pathways and its role as an intermediate in the synthesis of more complex molecules. The presence of both nitro and hydroxyl functional groups makes it a versatile building block for further chemical modifications, enabling its use in the development of novel therapeutic agents.
The structural characteristics of Sodium 5-Nitroguaiacolate contribute to its reactivity and make it a valuable candidate for exploring new pharmacological targets. The nitro group, in particular, can be reduced to an amine or further functionalized, while the guaiacolate moiety provides a scaffold for additional derivatization. These features have been exploited in recent research to develop compounds with enhanced biological activity.
In recent years, Sodium 5-Nitroguaiacolate has been studied for its potential role in modulating inflammatory responses and oxidative stress. Research indicates that derivatives of this compound may exhibit anti-inflammatory properties by inhibiting key enzymes involved in the inflammatory cascade. Specifically, studies have shown that certain modifications of the nitro group can enhance the compound's ability to interact with enzymes such as lipoxygenase and cyclooxygenase, thereby reducing pro-inflammatory mediators.
Furthermore, the guaiacolate backbone of Sodium 5-Nitroguaiacolate has been investigated for its antioxidant properties. Antioxidants are crucial in mitigating cellular damage caused by reactive oxygen species (ROS), which are implicated in various pathological conditions, including neurodegenerative diseases and cardiovascular disorders. Preliminary studies suggest that Sodium 5-Nitroguaiacolate and its derivatives can scavenge ROS and protect cells from oxidative damage, making them promising candidates for therapeutic intervention.
The synthesis of Sodium 5-Nitroguaiacolate involves a series of well-defined chemical reactions that highlight its importance as a synthetic intermediate. The process typically begins with the nitration of guaiacolic acid, followed by sodium salt formation. This synthetic route is advantageous due to the availability of starting materials and the scalability of the reaction conditions. Recent advancements in synthetic methodologies have improved the yield and purity of Sodium 5-Nitroguaiacolate, making it more accessible for research purposes.
One of the most compelling aspects of Sodium 5-Nitroguaiacolate is its potential as a prodrug or precursor for more complex pharmacophores. By leveraging its structural flexibility, researchers can design derivatives that exhibit improved pharmacokinetic profiles or target specific biological pathways more effectively. For instance, modifications to the nitro group can alter the compound's solubility and metabolic stability, while changes to the guaiacolate moiety can enhance binding affinity to biological targets.
The pharmacological evaluation of Sodium 5-Nitroguaiacolate has revealed several promising avenues for therapeutic development. In vitro studies have demonstrated its ability to inhibit the growth of certain cancer cell lines by inducing apoptosis or inhibiting proliferation. Additionally, preclinical trials have shown that derivatives of this compound may have neuroprotective effects, making them relevant for treating conditions such as Alzheimer's disease or Parkinson's disease.
The role of Sodium 5-Nitroguaiacolate in drug discovery is further underscored by its compatibility with various drug delivery systems. Researchers have explored formulations that enhance its bioavailability or target specific tissues within the body. For example, nanoencapsulation techniques have been employed to improve drug delivery efficiency, while prodrug strategies have been developed to enhance metabolic stability and reduce side effects.
As our understanding of biochemical pathways continues to evolve, the significance of compounds like Sodium 5-Nitroguaiacolate is likely to grow. Ongoing research aims to uncover new mechanisms by which this compound and its derivatives can be utilized to treat human diseases. By integrating computational modeling with experimental validation, scientists are gaining deeper insights into how these molecules interact with biological systems and how they can be optimized for therapeutic use.
In conclusion, Sodium 5-Nitroguaiacolate (CAS No. 67233-85-6) represents a fascinating compound with broad applications in pharmaceutical chemistry and medicinal research. Its unique structural features make it a valuable intermediate for synthesizing novel therapeutic agents, while its biological activities suggest potential uses in treating inflammatory diseases, oxidative stress-related disorders, and cancer. As research progresses, it is anticipated that further insights into the pharmacological properties of this compound will continue to drive innovation in drug development.
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