Cas no 1708958-91-1 (4-Bromo-5-Methyl-2-nitrobenzoic acid)
4-Bromo-5-Methyl-2-nitrobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-Bromo-5-Methyl-2-nitrobenzoic acid
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- Inchi: 1S/C8H6BrNO4/c1-4-2-5(8(11)12)7(10(13)14)3-6(4)9/h2-3H,1H3,(H,11,12)
- InChI Key: WKLFXBXUSBBVQO-UHFFFAOYSA-N
- SMILES: BrC1=CC(=C(C(=O)O)C=C1C)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 252
- XLogP3: 2.3
- Topological Polar Surface Area: 83.1
4-Bromo-5-Methyl-2-nitrobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013016288-250mg |
4-Bromo-5-methyl-2-nitrobenzoic acid |
1708958-91-1 | 97% | 250mg |
470.40 USD | 2021-06-25 | |
| Alichem | A013016288-500mg |
4-Bromo-5-methyl-2-nitrobenzoic acid |
1708958-91-1 | 97% | 500mg |
847.60 USD | 2021-06-25 | |
| Alichem | A013016288-1g |
4-Bromo-5-methyl-2-nitrobenzoic acid |
1708958-91-1 | 97% | 1g |
1,564.50 USD | 2021-06-25 | |
| A2B Chem LLC | AI38968-1g |
4-Bromo-5-methyl-2-nitrobenzoic acid |
1708958-91-1 | 98% | 1g |
$165.00 | 2024-04-20 | |
| A2B Chem LLC | AI38968-5g |
4-Bromo-5-methyl-2-nitrobenzoic acid |
1708958-91-1 | 98% | 5g |
$505.00 | 2024-04-20 | |
| A2B Chem LLC | AI38968-10g |
4-Bromo-5-methyl-2-nitrobenzoic acid |
1708958-91-1 | 98% | 10g |
$874.00 | 2024-04-20 | |
| Crysdot LLC | CD12133591-1g |
4-Bromo-5-Methyl-2-nitrobenzoic acid |
1708958-91-1 | 95+% | 1g |
$267 | 2024-07-24 | |
| Crysdot LLC | CD12133591-5g |
4-Bromo-5-Methyl-2-nitrobenzoic acid |
1708958-91-1 | 95+% | 5g |
$713 | 2024-07-24 | |
| Crysdot LLC | CD12133591-10g |
4-Bromo-5-Methyl-2-nitrobenzoic acid |
1708958-91-1 | 95+% | 10g |
$1270 | 2024-07-24 | |
| 1PlusChem | 1P00HZYW-1g |
4-Bromo-5-methyl-2-nitrobenzoic acid |
1708958-91-1 | 98% | 1g |
$172.00 | 2025-02-28 |
4-Bromo-5-Methyl-2-nitrobenzoic acid Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
Additional information on 4-Bromo-5-Methyl-2-nitrobenzoic acid
4-Bromo-5-Methyl-2-nitrobenzoic acid (CAS No. 1708958-91-1): A Comprehensive Overview
4-Bromo-5-Methyl-2-nitrobenzoic acid (CAS No. 1708958-91-1) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its bromine, methyl, and nitro functional groups, which confer it with a range of reactive and functional properties.
The molecular structure of 4-Bromo-5-Methyl-2-nitrobenzoic acid is particularly noteworthy. The presence of the bromine atom at the 4-position and the methyl group at the 5-position, along with the nitro group at the 2-position, provides a unique combination of electronic and steric effects. These features make it an attractive starting material for a variety of synthetic transformations and derivatizations.
In the realm of pharmaceutical research, 4-Bromo-5-Methyl-2-nitrobenzoic acid has shown promise as an intermediate in the synthesis of novel drugs. Recent studies have explored its potential as a precursor for the development of anti-inflammatory agents, anticancer drugs, and other therapeutic compounds. The nitro group can be reduced to an amino group, which can then be further modified to introduce various functional groups, enhancing the compound's biological activity and selectivity.
One notable application of 4-Bromo-5-Methyl-2-nitrobenzoic acid is in the field of materials science. Its unique electronic properties make it a valuable component in the synthesis of conductive polymers and other advanced materials. Research has demonstrated that derivatives of this compound can be used to create materials with enhanced electrical conductivity and stability, making them suitable for use in electronic devices and sensors.
The synthetic versatility of 4-Bromo-5-Methyl-2-nitrobenzoic acid is another key factor contributing to its importance in chemical research. Various synthetic routes have been developed to produce this compound efficiently and on a large scale. For instance, one common method involves the bromination of 5-methyl-2-nitrobenzoic acid followed by further functionalization steps. These synthetic strategies not only improve the yield and purity of the final product but also allow for the introduction of additional functional groups, expanding its potential applications.
In addition to its synthetic utility, 4-Bromo-5-Methyl-2-nitrobenzoic acid has been studied for its environmental impact. Research has shown that proper handling and disposal practices are essential to minimize any potential environmental risks associated with this compound. Efforts are ongoing to develop more sustainable synthetic methods that reduce waste and minimize environmental footprint.
The safety profile of 4-Bromo-5-Methyl-2-nitrobenzoic acid is also an important consideration. While it is generally considered safe when handled properly, appropriate personal protective equipment (PPE) should be used during laboratory work to ensure safety. Safety data sheets (SDS) provide detailed information on handling, storage, and disposal procedures to ensure compliance with regulatory standards.
In conclusion, 4-Bromo-5-Methyl-2-nitrobenzoic acid (CAS No. 1708958-91-1) is a multifaceted compound with a wide range of applications in pharmaceuticals, materials science, and chemical synthesis. Its unique molecular structure and versatile reactivity make it an invaluable tool for researchers seeking to develop new materials and therapeutic agents. Ongoing research continues to uncover new possibilities for this compound, solidifying its position as a key player in modern chemical research.
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