Cas no 119916-25-5 (Benzene,1,2,4-trifluoro-3-methyl-)
Benzene,1,2,4-trifluoro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,4-trifluoro-3-methyl-
- 1,2,4-trifluoro-3-methylbenzene
- 2,3,6-TRIFLUOROTOLUENE
- Benzene, 1,2,4-trifluoro-3-methyl- (9CI)
- C7H5F3
- 119916-25-5
- DTXSID20562615
- A879431
- SCHEMBL172114
- E90796
- VLXRWIKZIXEYRM-UHFFFAOYSA-N
- AM62214
- AKOS006335320
- MFCD12922564
- DB-273841
- Benzene, 1,2,4-trifluoro-3-methyl-
-
- MDL: MFCD12922564
- Inchi: 1S/C7H5F3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
- InChI Key: VLXRWIKZIXEYRM-UHFFFAOYSA-N
- SMILES: FC1C(=CC=C(C=1C)F)F
Computed Properties
- Exact Mass: 146.03435
- Monoisotopic Mass: 146.03433465g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 115
- 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: 0?2
Experimental Properties
- Density: 1.234±0.06 g/cm3(Predicted)
- Boiling Point: 121.1±35.0 °C(Predicted)
- PSA: 0
Benzene,1,2,4-trifluoro-3-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-KD904-100mg |
2,3,6-Trifluorotoluene |
119916-25-5 | 98% | 100mg |
¥163.0 | 2022-02-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-KD904-1g |
2,3,6-Trifluorotoluene |
119916-25-5 | 98% | 1g |
¥1113.0 | 2022-02-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-KD904-250mg |
2,3,6-Trifluorotoluene |
119916-25-5 | 98% | 250mg |
¥372.0 | 2022-02-28 | |
| Fluorochem | 043090-1g |
2,3,6-Trifluorotoluene |
119916-25-5 | 95% | 1g |
£47.00 | 2022-03-01 | |
| Fluorochem | 043090-5g |
2,3,6-Trifluorotoluene |
119916-25-5 | 95% | 5g |
£141.00 | 2022-03-01 | |
| Fluorochem | 043090-25g |
2,3,6-Trifluorotoluene |
119916-25-5 | 95% | 25g |
£399.00 | 2022-03-01 | |
| Alichem | A010003665-250mg |
2,3,6-Trifluorotoluene |
119916-25-5 | 97% | 250mg |
$484.80 | 2023-09-04 | |
| Alichem | A010003665-500mg |
2,3,6-Trifluorotoluene |
119916-25-5 | 97% | 500mg |
$782.40 | 2023-09-04 | |
| Alichem | A010003665-1g |
2,3,6-Trifluorotoluene |
119916-25-5 | 97% | 1g |
$1519.80 | 2023-09-04 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H63897-250mg |
2,3,6-Trifluorotoluene, 98% |
119916-25-5 | 98% | 250mg |
¥467.00 | 2023-02-14 |
Benzene,1,2,4-trifluoro-3-methyl- Suppliers
Benzene,1,2,4-trifluoro-3-methyl- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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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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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
Additional information on Benzene,1,2,4-trifluoro-3-methyl-
Benzene,1,2,4-trifluoro-3-methyl- (CAS No. 119916-25-5): A Comprehensive Overview in Modern Chemical Research
Benzene,1,2,4-trifluoro-3-methyl- (CAS No. 119916-25-5) is a fluorinated aromatic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research due to its unique structural and electronic properties. This compound, characterized by a benzene ring substituted with three fluorine atoms at the 1, 2, and 4 positions and a methyl group at the 3 position, exhibits distinct chemical behavior that makes it a valuable intermediate in the synthesis of various functional materials and bioactive molecules.
The< strong>fluorine atoms incorporated into the benzene ring confer significant electronic and steric effects on the molecule. Fluorine is an electronegative element that can influence the reactivity of adjacent carbon atoms by inducing electron-withdrawing effects. This property is particularly useful in medicinal chemistry, where< strong>fluorinated aromatic compounds are often employed to enhance metabolic stability, binding affinity, and overall pharmacological activity of drug candidates. The< strong>1,2,4-trifluoromethyl substitution pattern creates a molecule with a high degree of electronic complexity, making it an intriguing subject for studying electronic effects in aromatic systems.
In recent years, there has been growing interest in the development of< strong>fluorinated heterocyclic compounds as potential therapeutic agents. The< strong>Benzene,1,2,4-trifluoro-3-methyl structure serves as a versatile scaffold for constructing more complex molecules with tailored biological activities. For instance, researchers have explored its utility in designing novel antiviral and anticancer agents. The< strong>methyl group at the 3-position provides a handle for further functionalization via various chemical reactions such as alkylation, acylation, or coupling reactions with other biologically relevant moieties.
The synthesis of< strong>Benzene,1,2,4-trifluoro-3-methyl typically involves multi-step organic transformations starting from commercially available precursors. One common approach involves the selective fluorination of a benzene derivative followed by methylation at the desired position. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions have also been employed to achieve high regioselectivity and yield. These synthetic strategies highlight the importance of< strong>CAS No. 119916-25-5 as a key intermediate in industrial-scale production of fluorinated chemicals.
The electronic properties of< strong>Benzene,1,2,4-trifluoro-3-methyl make it an attractive candidate for applications in materials science. For example, its ability to act as an electron-deficient aromatic system has been exploited in the design of organic semiconductors and light-emitting diodes (OLEDs). The< strong>fluorine substituents can modulate the energy levels of the molecule, influencing its optoelectronic characteristics. This has led to research exploring its potential use in flexible electronics and optoelectronic devices where precise control over molecular energy levels is crucial.
In pharmaceutical research,< strong>Benzene,1,2,4-trifluoro-3-methyl has been investigated for its potential as a building block in drug discovery programs. The presence of multiple reactive sites allows for diverse chemical modifications that can be tailored to target specific biological pathways. For instance, derivatives of this compound have shown promise as inhibitors of enzymes involved in cancer metabolism. The< strong>CAS No. 119916-25-5 registry ensures that researchers have access to consistent and high-quality material for their studies.
The impact of< strong>Benzene,1,2,4-trifluoro-3-methyl on modern chemical research extends beyond its direct applications. It serves as a model system for understanding the influence of halogen substituents on aromatic chemistry. Computational studies have been particularly valuable in elucidating the mechanistic details of reactions involving this compound. These studies not only enhance our fundamental understanding but also guide the development of more efficient synthetic routes.
The future prospects for< strong>Benzene,1,2,4-trifluoro-3-methyl are promising as new methodologies continue to emerge in synthetic chemistry and materials science. Advances in flow chemistry and green chemistry principles may further optimize its production and application processes. Additionally,< strong>CAS No. 119916-25-5-labeled derivatives could play a crucial role in high-throughput screening campaigns aimed at discovering novel bioactive compounds.
In conclusion,< strong>Benzene,1,2,4-trifluoro-3-methyl, identified by its CAS number 119916-25-5,< strong>methyl group, and< strong>fluorine substitution pattern, represents a fascinating compound with diverse applications across multiple scientific disciplines. Its unique chemical properties continue to drive innovation in pharmaceuticals and materials science alike.
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