Cas no 77801-22-0 (3-Fluoro-2-methoxybenzonitrile)
3-Fluoro-2-methoxybenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Fluoro-2-methoxybenzonitrile
- Benzonitrile,3-fluoro-2-methoxy-
- 3-Fluoro-o-anisonitrile
- NCR CF BO1
- 77801-22-0
- AKOS005258285
- 2-Methoxy-3-fluorobenzonitrile
- XSWPZUMXEKDICZ-UHFFFAOYSA-N
- FT-0722462
- AS-54477
- DTXSID00609633
- A839201
- s10447
- SCHEMBL679158
- AM61669
- MFCD06637312
- CS-0098779
- 3-fluoro-2-methoxy-benzonitrile
- Benzonitrile, 3-fluoro-2-methoxy-
- BBL103308
- DB-016005
- STL557118
-
- MDL: MFCD06637312
- Inchi: 1S/C8H6FNO/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4H,1H3
- InChI Key: XSWPZUMXEKDICZ-UHFFFAOYSA-N
- SMILES: FC1=CC=CC(C#N)=C1OC
Computed Properties
- Exact Mass: 151.04338
- Monoisotopic Mass: 151.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 174
- 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
- Topological Polar Surface Area: 33A^2
- XLogP3: 1.7
Experimental Properties
- Density: 1.18
- Boiling Point: 252 oC
- Flash Point: 107 oC
- Refractive Index: 1.505
- PSA: 33.02
3-Fluoro-2-methoxybenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | F401613-50mg |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | F401613-100mg |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | F401613-500mg |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | 500mg |
$ 80.00 | 2022-06-05 | ||
| ChemScence | CS-0098779-1g |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | ≥97.0% | 1g |
$65.0 | 2021-09-02 | |
| ChemScence | CS-0098779-5g |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | ≥97.0% | 5g |
$123.0 | 2022-04-26 | |
| ChemScence | CS-0098779-10g |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | ≥97.0% | 10g |
$206.0 | 2022-04-26 | |
| Fluorochem | 046357-5g |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | 95% | 5g |
£80.00 | 2022-03-01 | |
| Fluorochem | 046357-25g |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | 95% | 25g |
£319.00 | 2022-03-01 | |
| Apollo Scientific | PC302549-1g |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | 98% | 1g |
£24.00 | 2025-02-21 | |
| Apollo Scientific | PC302549-5g |
3-Fluoro-2-methoxybenzonitrile |
77801-22-0 | 98% | 5g |
£75.00 | 2025-02-21 |
3-Fluoro-2-methoxybenzonitrile Suppliers
3-Fluoro-2-methoxybenzonitrile Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
Additional information on 3-Fluoro-2-methoxybenzonitrile
Professional Introduction to 3-Fluoro-2-methoxybenzonitrile (CAS No. 77801-22-0)
3-Fluoro-2-methoxybenzonitrile (CAS No. 77801-22-0) is a versatile organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research due to its unique structural and chemical properties. This compound, featuring a benzonitrile core substituted with a fluoro group at the 3-position and a methoxy group at the 2-position, exhibits a range of interesting reactivity and biological activity that makes it a valuable intermediate in synthetic chemistry.
The presence of the fluoro group in 3-fluoro-2-methoxybenzonitrile introduces electron-withdrawing effects, which can modulate the reactivity of the molecule in various chemical transformations. This feature is particularly useful in medicinal chemistry, where fluorine atoms are often incorporated into drug molecules to enhance metabolic stability, binding affinity, and overall pharmacological efficacy. The methoxy group, on the other hand, provides a site for further functionalization and can influence the electronic properties of the aromatic ring.
In recent years, 3-fluoro-2-methoxybenzonitrile has been extensively studied for its potential applications in the development of novel therapeutic agents. One notable area of research involves its use as a precursor in the synthesis of fluoroquinolone antibiotics. Fluoroquinolones are a class of broad-spectrum antibiotics that have been widely used to treat various bacterial infections. The fluorine atom in these compounds plays a crucial role in enhancing their antibacterial activity by improving their ability to interact with bacterial DNA gyrase and topoisomerase IV.
Moreover, 3-fluoro-2-methoxybenzonitrile has shown promise in the development of anticancer agents. The combination of fluoro and methoxy groups in its structure can be exploited to design molecules that exhibit inhibitory effects on key enzymes involved in cancer cell proliferation and survival. For instance, studies have demonstrated that derivatives of this compound can target tyrosine kinases, which are overexpressed in many cancer cells and contribute to uncontrolled cell growth.
The compound's utility extends beyond pharmaceutical applications. In agrochemical research, 3-fluoro-2-methoxybenzonitrile serves as a valuable building block for synthesizing herbicides and pesticides. The unique electronic properties of its aromatic ring make it an effective scaffold for designing molecules that can selectively inhibit weed growth or pest activity without harming crops. This has led to the development of more efficient and environmentally friendly agricultural practices.
Synthetic chemists have also leveraged the reactivity of 3-fluoro-2-methoxybenzonitrile to develop novel synthetic methodologies. The benzonitrile moiety can undergo various transformations, such as nucleophilic substitution, reduction, and coupling reactions, allowing for the introduction of diverse functional groups. These reactions are crucial for constructing complex molecular architectures that are essential for drug discovery and material science applications.
The industrial production of 3-fluoro-2-methoxybenzonitrile is typically achieved through multi-step synthetic routes that involve careful selection of reaction conditions and catalysts. Advances in green chemistry have also influenced the synthesis process, with an emphasis on minimizing waste and maximizing yield through sustainable practices. These efforts align with global initiatives to promote environmentally responsible chemical manufacturing.
In conclusion, 3-fluoro-2-methoxybenzonitrile (CAS No. 77801-22-0) is a multifaceted compound with significant potential in pharmaceuticals, agrochemicals, and synthetic chemistry. Its unique structural features enable a wide range of applications, from developing life-saving drugs to creating innovative agricultural solutions. As research continues to uncover new uses for this compound, its importance in modern chemistry is likely to grow even further.
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