Cas no 1381944-81-5 (2-fluoro-4-(3-methylphenyl)benzonitrile)
2-fluoro-4-(3-methylphenyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-fluoro-4-(3-methylphenyl)benzonitrile
- DTXSID00741825
- BS-21353
- 1381944-81-5
- 3-Fluoro-3'-methyl[1,1'-biphenyl]-4-carbonitrile
- [1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-methyl-
- 3-fluoro-3'-methyl-[1,1'-biphenyl]-4-carbonitrile
- SCHEMBL8265080
- MFCD22375071
-
- MDL： MFCD22375071
- Inchi： 1S/C14H10FN/c1-10-3-2-4-11(7-10)12-5-6-13(9-16)14(15)8-12/h2-8H,1H3
- InChI Key： OQXOVHWHFHLROE-UHFFFAOYSA-N
- SMILES： FC1=C(C#N)C=CC(=C1)C1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 211.08000
- Monoisotopic Mass: 211.079727485Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 280
- 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: 3.7
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79000
- LogP: 3.67278
2-fluoro-4-(3-methylphenyl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | F596895-100mg |
2-Fluoro-4-(3-methylphenyl)benzonitrile |
1381944-81-5 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | F596895-250mg |
2-Fluoro-4-(3-methylphenyl)benzonitrile |
1381944-81-5 | 250mg |
$98.00 | 2023-05-18 | ||
| TRC | F596895-500mg |
2-Fluoro-4-(3-methylphenyl)benzonitrile |
1381944-81-5 | 500mg |
$150.00 | 2023-05-18 | ||
| TRC | F596895-1g |
2-Fluoro-4-(3-methylphenyl)benzonitrile |
1381944-81-5 | 1g |
$207.00 | 2023-05-18 | ||
| abcr | AB335780-1 g |
2-Fluoro-4-(3-methylphenyl)benzonitrile; 97% |
1381944-81-5 | 1g |
€246.00 | 2023-04-26 | ||
| abcr | AB335780-5 g |
2-Fluoro-4-(3-methylphenyl)benzonitrile; 97% |
1381944-81-5 | 5g |
€654.00 | 2023-04-26 | ||
| abcr | AB335780-1g |
2-Fluoro-4-(3-methylphenyl)benzonitrile, 97%; . |
1381944-81-5 | 97% | 1g |
€246.00 | 2025-03-19 | |
| abcr | AB335780-5g |
2-Fluoro-4-(3-methylphenyl)benzonitrile, 97%; . |
1381944-81-5 | 97% | 5g |
€654.00 | 2025-03-19 | |
| A2B Chem LLC | AA57091-1g |
2-Fluoro-4-(3-methylphenyl)benzonitrile |
1381944-81-5 | 97% | 1g |
$142.00 | 2024-04-20 | |
| A2B Chem LLC | AA57091-5g |
2-Fluoro-4-(3-methylphenyl)benzonitrile |
1381944-81-5 | 97% | 5g |
$402.00 | 2024-04-20 |
2-fluoro-4-(3-methylphenyl)benzonitrile Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Additional information on 2-fluoro-4-(3-methylphenyl)benzonitrile
Comprehensive Overview of 2-Fluoro-4-(3-methylphenyl)benzonitrile (CAS No. 1381944-81-5)
2-Fluoro-4-(3-methylphenyl)benzonitrile, identified by its CAS number 1381944-81-5, is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This compound belongs to the family of fluorinated benzonitrile derivatives, which are widely studied for their unique chemical properties and potential applications. The presence of both a fluoro substituent and a methylphenyl group in its structure makes it a valuable intermediate in the synthesis of advanced materials and bioactive molecules.
In recent years, the demand for fluorinated aromatic compounds like 2-fluoro-4-(3-methylphenyl)benzonitrile has surged due to their role in drug discovery and agrochemical development. Researchers are particularly interested in how the fluoro group enhances metabolic stability and bioavailability, a topic frequently searched in AI-driven drug design platforms. The compound's nitrile functionality also opens doors to further chemical modifications, making it a versatile building block for high-performance polymers and electronic materials.
The synthesis of CAS 1381944-81-5 typically involves multi-step organic reactions, including cross-coupling and fluorination processes. These methods align with the growing trend of green chemistry, as scientists seek eco-friendly alternatives to traditional halogenation techniques. A common query among chemists is how to optimize the yield of 2-fluoro-4-(3-methylphenyl)benzonitrile while minimizing waste—a challenge addressed in recent catalytic studies.
From an industrial perspective, 2-fluoro-4-(3-methylphenyl)benzonitrile is often discussed alongside OLED materials and liquid crystal displays (LCDs). Its molecular structure contributes to desirable electronic properties, such as improved charge transport and thermal stability. This connection to cutting-edge display technologies has made it a hot topic in forums focusing on next-gen electronics.
Analytical characterization of CAS 1381944-81-5 relies heavily on techniques like NMR spectroscopy, HPLC, and mass spectrometry. These methods are critical for ensuring purity, especially when the compound is used in pharmaceutical intermediates. Many researchers search for detailed spectroscopic data of this compound to compare with their experimental results, highlighting the need for accessible reference databases.
In conclusion, 2-fluoro-4-(3-methylphenyl)benzonitrile (CAS No. 1381944-81-5) represents a compelling case study in modern chemical innovation. Its applications span from life sciences to advanced materials engineering, reflecting the interdisciplinary nature of contemporary research. As interest in tailored fluorochemicals grows, this compound will likely remain at the forefront of scientific and industrial discussions.
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