Cas no 87453-27-8 ((fluoromethoxy)benzene)
(fluoromethoxy)benzene Chemical and Physical Properties
Names and Identifiers
-
- fluoromethoxybenzene
- (fluoromethoxy)benzene
- DTXSID301007569
- HAXUFHXMBCWDPM-UHFFFAOYSA-N
- 87453-27-8
- 3-FLUOROMETHOXYBENZENE
- Fluoromethoxy-benzene
- NSC244357
- 3- Fluoromethoxybenzene
- NSC-244357
- AKOS032949759
- SCHEMBL1714596
-
- MDL: MFCD28048895
- Inchi: 1S/C7H7FO/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key: HAXUFHXMBCWDPM-UHFFFAOYSA-N
- SMILES: FCOC1C=CC=CC=1
Computed Properties
- Exact Mass: 126.048093005g/mol
- Monoisotopic Mass: 126.048093005g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 69.3
- 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: 2.6
- Topological Polar Surface Area: 9.2?2
(fluoromethoxy)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-260343-1.0g |
(fluoromethoxy)benzene |
87453-27-8 | 1.0g |
$821.0 | 2023-03-01 | ||
| Enamine | EN300-260343-2.5g |
(fluoromethoxy)benzene |
87453-27-8 | 2.5g |
$1701.0 | 2023-09-14 | ||
| Enamine | EN300-260343-5.0g |
(fluoromethoxy)benzene |
87453-27-8 | 5.0g |
$2154.0 | 2023-03-01 | ||
| Enamine | EN300-260343-10.0g |
(fluoromethoxy)benzene |
87453-27-8 | 10.0g |
$2708.0 | 2023-03-01 | ||
| Enamine | EN300-260343-1g |
(fluoromethoxy)benzene |
87453-27-8 | 1g |
$821.0 | 2023-09-14 | ||
| Enamine | EN300-260343-5g |
(fluoromethoxy)benzene |
87453-27-8 | 5g |
$2154.0 | 2023-09-14 | ||
| Enamine | EN300-260343-10g |
(fluoromethoxy)benzene |
87453-27-8 | 10g |
$2708.0 | 2023-09-14 |
(fluoromethoxy)benzene Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
Additional information on (fluoromethoxy)benzene
Comprehensive Overview of (Fluoromethoxy)benzene (CAS No. 87453-27-8): Properties, Applications, and Industry Insights
(Fluoromethoxy)benzene (CAS No. 87453-27-8), also known as fluoromethyl phenyl ether, is an organofluorine compound with significant relevance in pharmaceutical and agrochemical research. This aromatic ether derivative features a fluoromethoxy group (-OCH2F) attached to a benzene ring, offering unique electronic and steric properties that make it valuable in modern synthetic chemistry. Its molecular formula C7H7FO and molecular weight of 126.13 g/mol position it as a versatile building block for fine chemical synthesis.
The compound's physicochemical properties include a boiling point range of 145-150°C and a density of approximately 1.12 g/cm3 at 25°C. Researchers particularly value its lipophilicity-enhancing characteristics when incorporated into molecular structures, a feature increasingly important in drug design to improve bioavailability and blood-brain barrier penetration – key search terms in current pharmaceutical development discussions. The fluorine atom's electronegativity (3.98 Pauling scale) creates a strong dipole moment, influencing both reactivity and intermolecular interactions.
In pharmaceutical applications, (fluoromethoxy)benzene serves as a precursor for various biologically active compounds. Recent studies (2022-2023) highlight its utility in developing kinase inhibitors and G-protein-coupled receptor (GPCR) modulators, addressing trending research areas like targeted cancer therapies and neurological disorder treatments. The compound's metabolic stability – a frequently searched term in drug discovery forums – makes it particularly attractive for medicinal chemistry applications where oxidative degradation must be minimized.
The agrochemical industry utilizes 87453-27-8 in synthesizing advanced crop protection agents, especially those requiring enhanced leaf penetration and systemic activity. With growing global emphasis on sustainable agriculture (a top-searched phrase in 2023), researchers are exploring fluorinated compounds like (fluoromethoxy)benzene to develop next-generation pesticides with improved environmental profiles and target specificity.
From a synthetic chemistry perspective, the compound participates in various electrophilic aromatic substitution reactions and serves as a protecting group in multi-step syntheses. Its regioselectivity in reactions makes it valuable for creating complex molecular architectures, particularly in asymmetric synthesis – another highly searched term in organic chemistry communities. Recent advances in flow chemistry techniques have improved the safety and efficiency of handling such fluorinated intermediates.
Environmental and safety considerations for (fluoromethoxy)benzene follow standard protocols for fluoroorganic compounds. While not classified as hazardous under current regulations, proper personal protective equipment (PPE) including nitrile gloves and chemical goggles is recommended during handling. The compound's ecological impact has been studied in accordance with OECD guidelines, showing moderate biodegradability under aerobic conditions – a crucial factor for industries focusing on green chemistry principles.
The global market for fluorinated aromatic compounds like 87453-27-8 is projected to grow at 6.2% CAGR (2023-2030), driven by increasing demand from the pharmaceutical sector and electronic materials industry. Emerging applications in liquid crystal formulations and organic semiconductors represent new growth avenues, aligning with current interests in flexible electronics and display technologies – topics generating substantial search traffic in materials science domains.
Analytical characterization of (fluoromethoxy)benzene typically involves GC-MS (retention time ~8.2 minutes on DB-5 columns), 1H/19F NMR spectroscopy (characteristic shifts at δ 4.8 ppm for -OCH2F protons and -200 to -210 ppm for fluorine), and FTIR spectroscopy (strong C-F stretch at 1100 cm-1). These spectroscopic techniques are essential for quality control in commercial production, addressing common queries about compound verification methods in chemical forums.
Storage recommendations for CAS 87453-27-8 include keeping containers tightly sealed under inert atmosphere at temperatures below 30°C, with particular attention to moisture sensitivity – a frequently discussed handling concern in chemical storage guidelines. The compound's shelf stability exceeds 24 months when stored properly, making it practical for inventory management in research laboratories and production facilities.
Future research directions for (fluoromethoxy)benzene derivatives focus on developing more efficient catalytic fluorination methods and exploring their potential in PET radiopharmaceuticals – both trending topics in contemporary chemical literature. The compound's unique combination of electronic effects and steric properties continues to inspire innovation across multiple scientific disciplines, ensuring its ongoing relevance in cutting-edge chemical research and industrial applications.
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