Cas no 372519-10-3 (6-bromo-2,3,4-trifluorobenzaldehyde)
6-bromo-2,3,4-trifluorobenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 6-bromo-2,3,4-trifluorobenzaldehyde
- FS-5534
- XPA51910
- MFCD15527216
- CS-0191863
- DTXSID50431481
- EN300-249127
- Z1269110720
- AT25781
- SCHEMBL5420882
- 372519-10-3
- AKOS023125766
-
- MDL: MFCD15527216
- Inchi: 1S/C7H2BrF3O/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1-2H
- InChI Key: BXXUAIPEOHAIKN-UHFFFAOYSA-N
- SMILES: BrC1=CC(=C(C(=C1C=O)F)F)F
Computed Properties
- Exact Mass: 237.92406
- Monoisotopic Mass: 237.92411g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 178
- 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: 2.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
6-bromo-2,3,4-trifluorobenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 043498-1g |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 97% | 1g |
£78.00 | 2022-03-01 | |
| Fluorochem | 043498-5g |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 97% | 5g |
£337.00 | 2022-03-01 | |
| Fluorochem | 043498-25g |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 97% | 25g |
£1370.00 | 2022-03-01 | |
| TRC | B673803-50mg |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 50mg |
$ 70.00 | 2022-06-06 | ||
| TRC | B673803-100mg |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 100mg |
$ 95.00 | 2022-06-06 | ||
| TRC | B673803-500mg |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 500mg |
$ 340.00 | 2022-06-06 | ||
| Apollo Scientific | PC39455-1g |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 97% | 1g |
£59.00 | 2024-05-24 | |
| Apollo Scientific | PC39455-5g |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 97% | 5g |
£289.00 | 2024-05-24 | |
| Apollo Scientific | PC39455-25g |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 97% | 25g |
£1220.00 | 2024-05-24 | |
| A2B Chem LLC | AW41809-100mg |
6-Bromo-2,3,4-trifluorobenzaldehyde |
372519-10-3 | 95% | 100mg |
$24.00 | 2024-04-20 |
6-bromo-2,3,4-trifluorobenzaldehyde Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
Additional information on 6-bromo-2,3,4-trifluorobenzaldehyde
6-Bromo-2,3,4-trifluorobenzaldehyde (CAS No. 372519-10-3): A Versatile Fluorinated Building Block for Modern Organic Synthesis
In the realm of fluorinated aromatic compounds, 6-bromo-2,3,4-trifluorobenzaldehyde (CAS 372519-10-3) stands out as a high-value intermediate for pharmaceutical, agrochemical, and materials science applications. Its unique molecular structure, featuring a benzaldehyde core with three fluorine atoms and a bromine substituent, enables precise regioselective reactions—a property highly sought after in drug discovery and catalyst design. Recent trends in green chemistry and sustainable synthesis have further amplified demand for such multifunctional scaffolds, as researchers explore C–F bond activation strategies and late-stage fluorination techniques.
The compound’s electron-deficient aromatic ring makes it ideal for nucleophilic aromatic substitution (SNAr) reactions, a topic frequently searched in organic chemistry forums and AI-driven synthesis planning tools. Users often inquire about optimizing reaction yields with similar polyfluorinated aldehydes or leveraging bromo-fluorine synergy for cross-coupling reactions (e.g., Suzuki-Miyaura). Notably, 6-bromo-2,3,4-trifluorobenzaldehyde serves as a precursor for liquid crystal materials and OLED dopants, aligning with industry interest in flexible electronics and energy-efficient displays.
From a synthetic methodology perspective, this compound’s crystallinity and purification protocols are frequently discussed in patent literature. Laboratories prioritize its storage stability under inert atmospheres, as the aldehyde group may oxidize over time. Analytical techniques like 19F-NMR and HPLC-MS are critical for quality control, addressing common user queries about characterizing fluorinated impurities. Furthermore, its role in metal-organic frameworks (MOFs) design has gained traction, particularly for gas separation membranes—a hot topic in carbon capture research.
In medicinal chemistry, the trifluoromethyl-benzaldehyde motif (often confused with trifluorobenzaldehydes) is a recurring theme in kinase inhibitor development. While 372519-10-3 itself isn’t bioactive, its derivatives show promise in targeted therapies, sparking discussions on structure-activity relationships (SAR) in drug design communities. Recent machine learning studies highlight how such halogenated fluorocompounds improve ligand-binding affinity, a key focus area for AI-assisted molecular docking platforms.
For industrial-scale applications, 6-bromo-2,3,4-trifluorobenzaldehyde is synthesized via controlled bromination of 2,3,4-trifluorobenzaldehyde, a process optimized for minimizing di-brominated byproducts—a frequent pain point in process chemistry forums. Its cost-effectiveness compared to custom fluorinated building blocks makes it attractive for high-throughput screening libraries. Environmental concerns around fluorochemical persistence have also driven innovation in biodegradable alternatives, though this compound’s low ecotoxicity profile keeps it relevant in REACH-compliant workflows.
Emerging applications include its use in photoacid generators for advanced lithography (semiconductor manufacturing) and as a ligand precursor for transition metal catalysts in asymmetric synthesis. These niches align with Google Scholar search trends on fluorine’s role in catalysis. As the fine chemicals market grows, CAS 372519-10-3 exemplifies how tailored fluorination can unlock novel molecular functionalities—a principle central to both academic research and industrial R&D today.
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