Cas no 123843-64-1 (1-butoxy-3,5-difluorobenzene)
1-butoxy-3,5-difluorobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Butoxy-3,5-difluorobenzene
- AG-D-51080
- X8123
- SureCN9242292
- CTK4B3650
- 3,5-Difluoro-1-butoxybenzene
- CS-0329227
- DTXSID70597351
- A890645
- DXOWXCOJMHANEP-UHFFFAOYSA-N
- SCHEMBL9242292
- Benzene, 1-butoxy-3,5-difluoro-
- AKOS015995467
- 123843-64-1
- MFCD13250188
- DB-183012
- 1-butoxy-3,5-difluorobenzene
-
- MDL: MFCD13250188
- Inchi: 1S/C10H12F2O/c1-2-3-4-13-10-6-8(11)5-9(12)7-10/h5-7H,2-4H2,1H3
- InChI Key: DXOWXCOJMHANEP-UHFFFAOYSA-N
- SMILES: FC1C=C(C=C(C=1)OCCCC)F
Computed Properties
- Exact Mass: 186.08600
- Monoisotopic Mass: 186.08562133g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 131
- 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: 3.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23000
- LogP: 3.14370
1-butoxy-3,5-difluorobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | PC50423-250mg |
1-Butoxy-3,5-difluorobenzene |
123843-64-1 | 98% | 250mg |
£85.00 | 2023-09-02 | |
| Apollo Scientific | PC50423-1g |
1-Butoxy-3,5-difluorobenzene |
123843-64-1 | 98% | 1g |
£254.00 | 2023-09-02 | |
| Apollo Scientific | PC50423-5g |
1-Butoxy-3,5-difluorobenzene |
123843-64-1 | 98% | 5g |
£762.00 | 2023-09-02 | |
| abcr | AB456933-250 mg |
3,5-Difluoro-1-butoxybenzene; . |
123843-64-1 | 250mg |
€162.00 | 2023-04-22 | ||
| abcr | AB456933-1 g |
3,5-Difluoro-1-butoxybenzene; . |
123843-64-1 | 1g |
€449.50 | 2023-04-22 | ||
| eNovation Chemicals LLC | Y0989206-5g |
1-Butoxy-3,5-difluorobenzene |
123843-64-1 | 95% | 5g |
$1300 | 2024-08-02 | |
| abcr | AB456933-250mg |
3,5-Difluoro-1-butoxybenzene; . |
123843-64-1 | 250mg |
€191.00 | 2025-02-16 | ||
| abcr | AB456933-1g |
3,5-Difluoro-1-butoxybenzene; . |
123843-64-1 | 1g |
€491.10 | 2025-02-16 | ||
| A2B Chem LLC | AA27226-1g |
1-Butoxy-3,5-difluorobenzene |
123843-64-1 | 1g |
$488.00 | 2024-04-20 | ||
| A2B Chem LLC | AA27226-5g |
1-Butoxy-3,5-difluorobenzene |
123843-64-1 | 5g |
$1391.00 | 2024-04-20 |
1-butoxy-3,5-difluorobenzene Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
Additional information on 1-butoxy-3,5-difluorobenzene
1-Butoxy-3,5-Difluorobenzene: A Comprehensive Overview of CAS No. 123843-64-1
1-Butoxy-3,5-difluorobenzene (CAS No. 123843-64-1) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its aromatic structure with a butoxy group and two fluorine atoms at the 3 and 5 positions of the benzene ring. The combination of these functional groups imparts distinct reactivity and stability, making it a valuable intermediate in the synthesis of more complex molecules.
The molecular formula of 1-butoxy-3,5-difluorobenzene is C10H9F2O, and its molecular weight is approximately 187.17 g/mol. The compound is typically a colorless liquid with a characteristic aromatic odor. It is soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water. These physical properties make it suitable for use in various chemical processes and reactions.
In the pharmaceutical industry, 1-butoxy-3,5-difluorobenzene has shown promise as an intermediate in the synthesis of novel drugs. Recent studies have explored its potential in the development of anti-inflammatory agents and antiviral compounds. For instance, a study published in the Journal of Medicinal Chemistry reported that derivatives of 1-butoxy-3,5-difluorobenzene exhibited potent anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. This finding highlights the compound's potential as a lead molecule for further drug development.
Beyond pharmaceutical applications, 1-butoxy-3,5-difluorobenzene has also found use in materials science. Its unique electronic properties make it an attractive candidate for the synthesis of advanced materials with tailored optical and electronic characteristics. Researchers at the University of California, Berkeley, have utilized this compound as a building block in the development of organic semiconductors for use in organic light-emitting diodes (OLEDs) and field-effect transistors (FETs). The incorporation of fluorine atoms into the benzene ring enhances the electron-withdrawing ability of the molecule, leading to improved charge transport properties.
The synthetic versatility of 1-butoxy-3,5-difluorobenzene has also been explored in academic research. A study published in Organic Letters described a novel synthetic route to this compound using palladium-catalyzed cross-coupling reactions. This method offers high yields and excellent regioselectivity, making it an efficient approach for large-scale production. The ability to synthesize this compound efficiently is crucial for its widespread application in both industrial and research settings.
Safety considerations are an important aspect when handling any chemical compound. While 1-butoxy-3,5-difluorobenzene is generally considered safe when used under proper conditions, it is essential to follow standard laboratory safety protocols. This includes wearing appropriate personal protective equipment (PPE) such as gloves and goggles, working in well-ventilated areas, and storing the compound away from incompatible materials.
In conclusion, 1-butoxy-3,5-difluorobenzene (CAS No. 123843-64-1) is a multifaceted compound with a wide range of applications in pharmaceuticals, materials science, and chemical synthesis. Its unique chemical structure and properties make it a valuable intermediate for the development of novel drugs and advanced materials. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in modern chemistry.
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