Cas no 61644-32-4 (Benzenamine, 4-butyl-3-nitro-)
Benzenamine, 4-butyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 4-butyl-3-nitro-
- 4-butyl-3-nitroaniline
- 61644-32-4
- DTXSID70703470
- AE-562/43459370
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- Inchi: 1S/C10H14N2O2/c1-2-3-4-8-5-6-9(11)7-10(8)12(13)14/h5-7H,2-4,11H2,1H3
- InChI Key: CPIPXAUOBLEFFO-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=C(C=CC=1CCCC)N)=O
Computed Properties
- Exact Mass: 194.10562
- Monoisotopic Mass: 194.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 191
- 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
- Topological Polar Surface Area: 71.8A^2
- XLogP3: 3
Experimental Properties
- PSA: 69.16
Benzenamine, 4-butyl-3-nitro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB602624-100g |
4-Butyl-3-nitroaniline; . |
61644-32-4 | 100g |
€227.80 | 2024-07-24 |
Benzenamine, 4-butyl-3-nitro- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
Additional information on Benzenamine, 4-butyl-3-nitro-
Benzenamine, 4-butyl-3-nitro- (CAS No. 61644-32-4): A Comprehensive Overview
Benzenamine, 4-butyl-3-nitro-, identified by its Chemical Abstracts Service (CAS) number 61644-32-4, is a significant compound in the realm of organic chemistry and pharmaceutical research. This aromatic amine derivative has garnered attention due to its unique structural properties and potential applications in various scientific domains.
The molecular structure of Benzenamine, 4-butyl-3-nitro- consists of a benzene ring substituted with both a butyl group at the fourth position and a nitro group at the third position. This specific arrangement imparts distinct chemical reactivity and makes it a valuable intermediate in synthetic chemistry. The presence of the nitro group enhances its utility in further functionalization, while the butyl moiety contributes to its solubility and stability in various solvents.
In recent years, Benzenamine, 4-butyl-3-nitro- has been explored for its potential role in the development of novel pharmaceutical agents. Its aromatic core and reactive substituents make it a promising candidate for designing molecules with specific biological activities. For instance, researchers have investigated its derivatives as precursors to antimicrobial and anti-inflammatory compounds. The nitro group can be reduced to an amine, opening up possibilities for further chemical modifications that could lead to new therapeutic entities.
The compound's significance extends beyond pharmaceuticals into materials science and agrochemicals. The unique electronic properties of the nitro-substituted benzene ring make it an interesting candidate for applications in organic electronics, such as in the development of conductive polymers and liquid crystal displays. Additionally, its derivatives have been studied for their potential as intermediates in the synthesis of pesticides and herbicides, where the presence of both the nitro and butyl groups can influence the bioactivity and environmental impact of the final products.
Recent advancements in synthetic methodologies have further highlighted the importance of Benzenamine, 4-butyl-3-nitro-. Modern techniques, such as transition metal-catalyzed cross-coupling reactions, have enabled more efficient and selective transformations of this compound. These methods have not only improved yields but also allowed for the introduction of additional functional groups with precision. Such developments are crucial for tailoring the properties of derived compounds to meet specific application requirements.
The study of Benzenamine, 4-butyl-3-nitro- also involves exploring its environmental impact and degradation pathways. Understanding how this compound behaves in different ecosystems is essential for assessing its potential risks and benefits. Researchers are employing computational modeling and experimental techniques to predict its fate in soil, water, and air. These studies aim to provide insights into how best to utilize this compound while minimizing any adverse effects on the environment.
In conclusion, Benzenamine, 4-butyl-3-nitro- (CAS No. 61644-32-4) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural features make it a valuable intermediate in pharmaceuticals, materials science, and agrochemicals. Ongoing research continues to uncover new possibilities for its use, driven by advancements in synthetic chemistry and environmental science. As our understanding of this compound grows, so does its potential to contribute to innovative solutions in various fields.
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