Cas no 1428234-67-6 (6-Bromo-3-Chloro-2-Fluorobenzoic Acid)
6-Bromo-3-Chloro-2-Fluorobenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 6-Bromo-3-Chloro-2-Fluorobenzoic Acid
- SCHEMBL20638801
- MFCD23713162
- AS-813/43501960
- CS-0194605
- Z1681374770
- 6-Bromo-3-chloro-2-fluorobenzoicacid
- PS-10141
- AT23381
- 1428234-67-6
- AKOS023125778
- EN300-696009
- 890-166-8
- DHC23467
-
- MDL: MFCD23713162
- Inchi: 1S/C7H3BrClFO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
- InChI Key: XJXNCYHFUPFGSY-UHFFFAOYSA-N
- SMILES: BrC1=CC=C(C(=C1C(=O)O)F)Cl
Computed Properties
- Exact Mass: 251.89890g/mol
- Monoisotopic Mass: 251.89890g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 190
- 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: 2.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: NA
- Density: 1.9±0.1 g/cm3
- Boiling Point: 311.8±42.0 °C at 760 mmHg
- Flash Point: 156.7±25.9 °C
6-Bromo-3-Chloro-2-Fluorobenzoic Acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃
6-Bromo-3-Chloro-2-Fluorobenzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013023013-250mg |
6-Bromo-3-chloro-2-fluorobenzoic acid |
1428234-67-6 | 97% | 250mg |
480.00 USD | 2021-06-24 | |
| Alichem | A013023013-500mg |
6-Bromo-3-chloro-2-fluorobenzoic acid |
1428234-67-6 | 97% | 500mg |
806.85 USD | 2021-06-24 | |
| Alichem | A013023013-1g |
6-Bromo-3-chloro-2-fluorobenzoic acid |
1428234-67-6 | 97% | 1g |
1,564.50 USD | 2021-06-24 | |
| Apollo Scientific | PC48441-250mg |
6-Bromo-3-chloro-2-fluorobenzoic acid |
1428234-67-6 | 95% | 250mg |
£60.00 | 2025-02-21 | |
| Apollo Scientific | PC48441-1g |
6-Bromo-3-chloro-2-fluorobenzoic acid |
1428234-67-6 | 95% | 1g |
£145.00 | 2025-02-21 | |
| Apollo Scientific | PC48441-5g |
6-Bromo-3-chloro-2-fluorobenzoic acid |
1428234-67-6 | 97% | 5g |
£450.00 | 2023-04-15 | |
| eNovation Chemicals LLC | Y1111103-1g |
6-Bromo-3-chloro-2-fluorobenzoic acid |
1428234-67-6 | 95% | 1g |
$295 | 2024-06-05 | |
| TRC | B681370-10mg |
6-Bromo-3-Chloro-2-Fluorobenzoic Acid |
1428234-67-6 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B681370-50mg |
6-Bromo-3-Chloro-2-Fluorobenzoic Acid |
1428234-67-6 | 50mg |
$ 115.00 | 2022-06-06 | ||
| TRC | B681370-100mg |
6-Bromo-3-Chloro-2-Fluorobenzoic Acid |
1428234-67-6 | 100mg |
$ 160.00 | 2022-06-06 |
6-Bromo-3-Chloro-2-Fluorobenzoic Acid Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Additional information on 6-Bromo-3-Chloro-2-Fluorobenzoic Acid
Comprehensive Overview of 6-Bromo-3-Chloro-2-Fluorobenzoic Acid (CAS No. 1428234-67-6): Properties, Applications, and Industry Insights
6-Bromo-3-Chloro-2-Fluorobenzoic Acid (CAS No. 1428234-67-6) is a halogen-substituted benzoic acid derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its multifunctional halogen groups, serves as a critical intermediate in the synthesis of complex molecules. Its unique molecular structure, featuring bromo, chloro, and fluoro substituents, enables precise modifications in drug design, making it a valuable asset in modern organic chemistry.
The growing demand for halogenated aromatic compounds like 6-Bromo-3-Chloro-2-Fluorobenzoic Acid is driven by their versatility in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig reactions. These reactions are pivotal in developing active pharmaceutical ingredients (APIs) and agrochemicals. Researchers frequently search for "halogenated benzoic acid derivatives" or "CAS 1428234-67-6 applications" to explore its role in medicinal chemistry and material science.
In the context of green chemistry, 6-Bromo-3-Chloro-2-Fluorobenzoic Acid aligns with the industry's shift toward sustainable synthesis. Its halogen atoms facilitate selective functionalization, reducing waste and improving yield—a topic frequently queried as "eco-friendly halogenation methods." Additionally, its stability under various conditions makes it a preferred choice for high-throughput screening in drug discovery.
The compound's physicochemical properties, including solubility and melting point, are often analyzed in "structure-activity relationship (SAR)" studies. These properties are crucial for optimizing bioavailability and drug delivery systems. For instance, the fluorine atom enhances metabolic stability, a feature highly sought after in CNS drug development—a trending topic in neuroscience research.
From an industrial perspective, 6-Bromo-3-Chloro-2-Fluorobenzoic Acid is synthesized via regioselective electrophilic aromatic substitution, a process often optimized for scalability. Queries like "large-scale synthesis of halogenated aromatics" reflect the industry's focus on cost-effective production. Its compatibility with continuous flow chemistry further underscores its relevance in process intensification strategies.
Emerging applications in electronic materials, such as organic semiconductors, have also been explored. The compound's electron-withdrawing groups contribute to tuning HOMO-LUMO gaps, a key parameter in "organic photovoltaic materials" research. This interdisciplinary potential makes it a recurring subject in scientific literature and patent filings.
In summary, 6-Bromo-3-Chloro-2-Fluorobenzoic Acid (CAS No. 1428234-67-6) exemplifies the intersection of chemical innovation and industrial demand. Its multifaceted roles in pharmaceuticals, agrochemicals, and advanced materials ensure its continued prominence in both academic and commercial spheres. As research evolves, this compound will likely remain a cornerstone in halogen-based synthetic strategies.
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