Cas no 1092460-88-2 (2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene)
2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene Chemical and Physical Properties
Names and Identifiers
-
- 2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene
- 2-(TRIFLUOROMETHOXY)-5-FLUOROBENZYL BROMIDE
- 5-FLUORO-2-(TRIFLUOROMETHOXY)BENZYL BROMIDE
- CTK4A6396
- MolPort-016-638-066
- AG-D-26048
- AS00002
- MFCD11519337
- CS-0440607
- 1092460-88-2
- JS-4844
- 5-FLUORO-2-(TRIFLUOROMETHOXY)BENZYLBROMIDE
- AKOS015956498
- VUUGICQPCOWAIC-UHFFFAOYSA-N
- DTXSID10697748
-
- MDL: MFCD11519337
- Inchi: 1S/C8H5BrF4O/c9-4-5-3-6(10)1-2-7(5)14-8(11,12)13/h1-3H,4H2
- InChI Key: VUUGICQPCOWAIC-UHFFFAOYSA-N
- SMILES: BrCC1C=C(C=CC=1OC(F)(F)F)F
Computed Properties
- Exact Mass: 271.94600
- Monoisotopic Mass: 271.94599g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 3.8
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.669
- Boiling Point: 200 oC
- Flash Point: 92 oC
- PSA: 9.23000
- LogP: 3.61920
2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene Customs Data
- HS CODE:2909309090
- Customs Data:
China Customs Code:
2909309090Overview:
2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene Pricemore >>
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| Apollo Scientific | PC302619-1g |
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2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
Additional information on 2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene
Comprehensive Guide to 2-(Bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene (CAS No. 1092460-88-2)
2-(Bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene (CAS No. 1092460-88-2) is a specialized aromatic compound with significant applications in pharmaceutical and agrochemical research. This halogenated benzene derivative features a bromomethyl group, a fluoro substituent, and a trifluoromethoxy moiety, making it a versatile intermediate in organic synthesis. Researchers and industry professionals frequently search for this compound due to its unique reactivity and potential in drug discovery.
The molecular structure of 2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene combines multiple functional groups that enhance its utility in cross-coupling reactions. The presence of both fluorine and trifluoromethoxy groups contributes to its electron-withdrawing properties, which are valuable in designing bioactive molecules. Recent trends in medicinal chemistry highlight the growing demand for such fluorinated building blocks, as they improve metabolic stability and membrane permeability in drug candidates.
In pharmaceutical applications, 1092460-88-2 serves as a key precursor for developing kinase inhibitors and antiviral agents. The bromomethyl group allows for further functionalization through nucleophilic substitution or metal-catalyzed reactions, making it indispensable in structure-activity relationship (SAR) studies. With the rise of targeted therapies, this compound has gained attention for its role in creating selective enzyme modulators.
The agrochemical sector also benefits from 2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene, particularly in synthesizing novel pesticides and herbicides. The trifluoromethoxy group enhances lipophilicity, improving the compound's ability to penetrate plant tissues. As sustainable agriculture becomes a global priority, researchers are exploring fluorinated analogs to develop eco-friendly crop protection solutions with reduced environmental persistence.
From a synthetic chemistry perspective, CAS 1092460-88-2 offers multiple advantages. Its stability under various reaction conditions and compatibility with palladium-catalyzed transformations make it a preferred choice for constructing complex molecular architectures. Recent publications in journals like Organic Letters and Journal of Medicinal Chemistry have featured derivatives of this compound in innovative synthetic routes.
Market analysis indicates steady growth in demand for fluoroaromatic intermediates like 2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene. Pharmaceutical companies increasingly incorporate fluorinated compounds into their drug pipelines, driving the need for high-purity building blocks. Suppliers specializing in halogenated benzene derivatives have reported increased inquiries about this specific CAS number, reflecting its importance in modern drug development.
Handling and storage recommendations for 1092460-88-2 emphasize protection from moisture and light to maintain stability. While not classified as hazardous under standard regulations, proper laboratory practices should be followed when working with this compound. Researchers often search for technical data sheets detailing its solubility profile (typically soluble in organic solvents like DCM and THF) and spectroscopic characteristics for quality control purposes.
Innovative applications continue to emerge for 2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene in materials science. Its potential use in liquid crystal displays (LCDs) and organic light-emitting diodes (OLEDs) is being investigated due to the electronic effects of its substituents. This aligns with current industry focus on advanced materials for flexible electronics and energy-efficient displays.
Environmental considerations surrounding fluorinated organic compounds have prompted studies on the biodegradation pathways of derivatives containing 1092460-88-2. Regulatory agencies monitor such substances, though this particular intermediate shows favorable environmental profiles when used responsibly in controlled industrial processes.
For synthetic chemists exploring C-H activation strategies or late-stage functionalization techniques, 2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene presents interesting possibilities. The compound's multiple reactive sites enable diverse transformation pathways, a topic frequently discussed in recent organic chemistry symposia.
Quality control protocols for CAS 1092460-88-2 typically involve HPLC analysis and NMR verification to ensure ≥98% purity. Reputable suppliers provide detailed certificates of analysis (CoA) addressing common purchaser concerns about isomeric purity and residual solvent content. These quality assurances are critical for pharmaceutical applications where regulatory compliance is essential.
Future research directions may explore the compound's utility in PROTAC (Proteolysis Targeting Chimera) development or as a scaffold for covalent inhibitors. The reactive bromomethyl group could facilitate attachment to E3 ligase ligands, addressing a hot topic in targeted protein degradation therapies.
In conclusion, 2-(bromomethyl)-4-fluoro-1-(trifluoromethoxy)benzene (CAS No. 1092460-88-2) represents a valuable tool for researchers across multiple disciplines. Its unique combination of substituents enables diverse chemical transformations while meeting the pharmaceutical industry's growing preference for fluorinated compounds. As synthetic methodologies advance and new therapeutic areas emerge, this compound will likely maintain its relevance in cutting-edge chemical research.
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