Cas no 1229245-20-8 (3-bromo-5-iodo-4-methylbenzoic acid)
3-bromo-5-iodo-4-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-bromo-5-iodo-4-methylbenzoic acid
- E92815
- Z1456153987
- AKOS020050451
- 1229245-20-8
- SCHEMBL1071450
- DA-14008
- EN300-3004611
- 3-Bromo-5-iodo-4-methyl-benzoic acid
- LYVFIZDTOOBDPB-UHFFFAOYSA-N
-
- MDL: MFCD24114741
- Inchi: 1S/C8H6BrIO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
- InChI Key: LYVFIZDTOOBDPB-UHFFFAOYSA-N
- SMILES: IC1C=C(C(=O)O)C=C(C=1C)Br
Computed Properties
- Exact Mass: 339.85959Da
- Monoisotopic Mass: 339.85959Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
3-bromo-5-iodo-4-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-3004611-0.05g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95.0% | 0.05g |
$28.0 | 2025-03-19 | |
| Enamine | EN300-3004611-0.1g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95.0% | 0.1g |
$39.0 | 2025-03-19 | |
| Enamine | EN300-3004611-0.25g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95.0% | 0.25g |
$55.0 | 2025-03-19 | |
| Enamine | EN300-3004611-0.5g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95.0% | 0.5g |
$100.0 | 2025-03-19 | |
| Enamine | EN300-3004611-1.0g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95.0% | 1.0g |
$156.0 | 2025-03-19 | |
| Enamine | EN300-3004611-2.5g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95.0% | 2.5g |
$306.0 | 2025-03-19 | |
| Enamine | EN300-3004611-5.0g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95.0% | 5.0g |
$452.0 | 2025-03-19 | |
| Enamine | EN300-3004611-10.0g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95.0% | 10.0g |
$671.0 | 2025-03-19 | |
| Enamine | EN300-3004611-1g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95% | 1g |
$743.0 | 2023-09-06 | |
| Enamine | EN300-3004611-5g |
3-bromo-5-iodo-4-methylbenzoic acid |
1229245-20-8 | 95% | 5g |
$2152.0 | 2023-09-06 |
3-bromo-5-iodo-4-methylbenzoic acid Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Additional information on 3-bromo-5-iodo-4-methylbenzoic acid
3-Bromo-5-Iodo-4-Methylbenzoic Acid: A Comprehensive Overview
The compound 3-bromo-5-iodo-4-methylbenzoic acid (CAS No. 1229245-20-8) is a highly specialized aromatic compound with significant potential in various scientific and industrial applications. This compound is characterized by its unique substitution pattern on the benzoic acid backbone, featuring a bromine atom at the 3-position, an iodine atom at the 5-position, and a methyl group at the 4-position. The combination of these substituents imparts distinctive chemical properties, making it a valuable molecule in research and development.
Recent studies have highlighted the importance of 3-bromo-5-iodo-4-methylbenzoic acid in the field of medicinal chemistry. Researchers have explored its role as a building block for constructing bioactive molecules, particularly in the design of novel antibiotics and anticancer agents. The presence of halogen atoms (bromine and iodine) enhances the molecule's reactivity, enabling it to participate in various organic reactions such as nucleophilic aromatic substitution and cross-coupling reactions. These reactions are pivotal in synthesizing complex structures with high therapeutic potential.
In terms of physical properties, 3-bromo-5-iodo-4-methylbenzoic acid exhibits a high melting point due to its strong intermolecular hydrogen bonding capabilities. This characteristic makes it suitable for use in high-performance materials, such as advanced polymers and coatings. Additionally, its solubility in organic solvents facilitates its application in solution-based chemical processes, including chromatography and crystal engineering.
The synthesis of 3-bromo-5-iodo-4-methylbenzoic acid involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. Recent advancements in catalytic chemistry have enabled more efficient and environmentally friendly syntheses, reducing production costs and minimizing waste. For instance, the use of palladium-catalyzed cross-coupling reactions has become a cornerstone in constructing the complex substitution pattern of this molecule.
One of the most promising applications of 3-bromo-5-iodo-4-methylbenzoic acid lies in its potential as an intermediate in drug discovery programs. Its ability to undergo diverse transformations makes it an ideal candidate for exploring new chemical space. For example, researchers have utilized this compound to develop analogs with improved pharmacokinetic profiles, enhancing their suitability for therapeutic use.
Furthermore, 3-bromo-5-iodo-4-methylbenzoic acid has shown promise in materials science, particularly in the development of advanced materials with tailored electronic properties. Its aromatic system and substituent effects contribute to unique electronic characteristics, making it a candidate for applications in organic electronics and optoelectronics.
In conclusion, 3-bromo-5-iodo-4-methylbenzoic acid is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthesis and application techniques, positions it as a valuable tool for researchers and industry professionals alike. As ongoing studies continue to uncover new potentials for this compound, its role in scientific innovation is expected to grow significantly.
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