Cas no 259860-00-9 (2-Fluoro-4-methyl-5-nitroaniline)
2-Fluoro-4-methyl-5-nitroaniline Chemical and Physical Properties
Names and Identifiers
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- 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene
- 2-Fluoro-4-methyl-5-nitrobenzenamine
- 5-Chloro-4-fluoro-2-methylnitrobenzene
- 4-Amino-5-fluoro-2-nitrotoluene
- 2-fluoro-4-methyl-5-nitroaniline
- MFCD15527685
- SCHEMBL3139080
- EN300-123781
- OUNUNDAIKLDJAY-UHFFFAOYSA-N
- CS-0036870
- J-509417
- AS-19971
- 2-Fluoro-4-methyl-5-nitro-aniline
- AKOS022181494
- Benzenamine, 2-fluoro-4-methyl-5-nitro-
- A856710
- 259860-00-9
- SY103788
- 2-Fluoro-4-methyl-5-nitroaniline
-
- MDL: MFCD15527685
- Inchi: 1S/C7H7FN2O2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,9H2,1H3
- InChI Key: OUNUNDAIKLDJAY-UHFFFAOYSA-N
- SMILES: FC1C(=CC(=C(C)C=1)[N+](=O)[O-])N
Computed Properties
- Exact Mass: 188.99935
- Monoisotopic Mass: 170.04915563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 183
- 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: 1.5
- Topological Polar Surface Area: 71.8?2
Experimental Properties
- Density: 1.371±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 80-82 oC
- Solubility: Very slightly soluble (0.34 g/l) (25 o C),
- PSA: 43.14
2-Fluoro-4-methyl-5-nitroaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemScence | CS-0036870-1g |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 97.67% | 1g |
$42.0 | 2022-04-27 | |
| ChemScence | CS-0036870-5g |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 97.67% | 5g |
$140.0 | 2022-04-27 | |
| ChemScence | CS-0036870-10g |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 97.67% | 10g |
$234.0 | 2022-04-27 | |
| ChemScence | CS-0036870-25g |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 97.67% | 25g |
$482.0 | 2022-04-27 | |
| TRC | B435145-50mg |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B435145-100mg |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B435145-500mg |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 500mg |
$ 210.00 | 2022-06-07 | ||
| Apollo Scientific | PC501611-1g |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 97% | 1g |
£96.00 | 2022-03-29 | |
| Alichem | A010010850-5g |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 97% | 5g |
$327.12 | 2023-09-02 | |
| Alichem | A010010850-10g |
2-Fluoro-4-methyl-5-nitroaniline |
259860-00-9 | 97% | 10g |
$490.68 | 2023-09-02 |
2-Fluoro-4-methyl-5-nitroaniline Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
Additional information on 2-Fluoro-4-methyl-5-nitroaniline
Professional Introduction to 2-Fluoro-4-methyl-5-nitroaniline (CAS No. 259860-00-9)
2-Fluoro-4-methyl-5-nitroaniline is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology due to its unique structural and chemical properties. This compound, identified by the Chemical Abstracts Service Number (CAS No.) 259860-00-9, represents a critical intermediate in the synthesis of various biologically active molecules. Its molecular structure, characterized by a fluorine substituent, a methyl group, and a nitro group attached to an aniline backbone, endows it with distinct reactivity and potential applications in drug development.
The significance of 2-fluoro-4-methyl-5-nitroaniline lies in its versatility as a building block for more complex pharmacophores. The presence of the fluorine atom, in particular, is a key feature that influences its electronic properties and metabolic stability, making it a valuable candidate for designing novel therapeutic agents. Recent advancements in computational chemistry have further highlighted its potential as a scaffold for small-molecule drugs targeting various diseases.
In the realm of medicinal chemistry, the synthesis and functionalization of 2-fluoro-4-methyl-5-nitroaniline have been extensively studied. Researchers have leveraged its reactivity to develop novel derivatives with enhanced pharmacological profiles. For instance, modifications at the nitro and fluoro positions have been shown to modulate binding affinity and selectivity towards specific biological targets. These modifications are often guided by high-throughput screening and structure-activity relationship (SAR) studies, which are essential for optimizing drug candidates.
One of the most compelling aspects of 2-fluoro-4-methyl-5-nitroaniline is its role in the development of antimicrobial agents. The combination of fluoro and nitro substituents has been observed to confer resistance against bacterial enzymes that typically degrade aromatic compounds. This property makes it an attractive candidate for creating new antibiotics that can overcome existing resistance mechanisms. Furthermore, its incorporation into antiviral and anticancer agents has shown promising results in preclinical studies.
The synthetic pathways for 2-fluoro-4-methyl-5-nitroaniline have also seen significant innovation. Modern synthetic techniques, such as transition-metal-catalyzed cross-coupling reactions and photoredox catalysis, have enabled more efficient and scalable production methods. These advancements not only improve yield but also reduce the environmental impact of manufacturing processes. The ability to produce this compound in high purity is crucial for ensuring the efficacy and safety of derivative drugs.
The application of 2-fluoro-4-methyl-5-nitroaniline extends beyond pharmaceuticals into materials science. Its unique electronic properties make it a candidate for use in organic electronics, such as light-emitting diodes (LEDs) and organic photovoltaics. The fluorine atom's ability to enhance charge transport has been particularly noted in these applications. As research continues, the potential uses of this compound are likely to expand into other innovative fields.
In conclusion, 2-fluoro-4-methyl-5-nitroaniline (CAS No. 259860-00-9) is a multifaceted compound with broad applications in pharmaceuticals and materials science. Its structural features make it an excellent candidate for developing novel therapeutics targeting various diseases, while its synthetic versatility allows for efficient production at scale. As ongoing research uncovers new biological activities and technological applications, this compound is poised to remain at the forefront of scientific innovation.
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