Cas no 160485-42-7 ((3-Fluoro-1,2-phenylene)dimethanol)
(3-Fluoro-1,2-phenylene)dimethanol Chemical and Physical Properties
Names and Identifiers
-
- (3-Fluoro-1,2-phenylene)dimethanol
- [3-fluoro-2-(hydroxymethyl)phenyl]methanol
- 1,2-BENZENEDIMETHANOL,3-FLUORO
- 1,2-Benzenedimethanol,3-fluoro-
- (2-fluoro-6-hydroxymethyl-phenyl)-methanol
- 3-fluoro-1,2-di-(hydroxymethyl)benzene
- 3-fluorobenzene-1,2-dimethanol
- AK138867
- KB-148778
- SureCN620083
- 3-fluoro-1,2-BenzenediMethanol
- 1,2-Benzenedimethanol,3-fluoro-(9CI)
- 3-Fluoro-1,2-bis(hydroxyMethyl)benzene
- (3-Fluoro-2-hydroxymethylphenyl)methanol
- 3-fluoro-1,2-di-(hydroxymethyl) benzene
- 1,2-Benzenedimethanol, 3-fluoro-
- DTXSID30593415
- SB83999
- 160485-42-7
- UAXMLIVNXZKEOV-UHFFFAOYSA-N
- SCHEMBL620083
- 1,2-BENZENEDIMETHANOL, 3-FLUORO
-
- Inchi: 1S/C8H9FO2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,10-11H,4-5H2
- InChI Key: UAXMLIVNXZKEOV-UHFFFAOYSA-N
- SMILES: FC1=CC=CC(CO)=C1CO
Computed Properties
- Exact Mass: 156.05865769g/mol
- Monoisotopic Mass: 156.05865769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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: 0.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.287±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 282.8±30.0 oC (760 Torr),
- Flash Point: 124.8±24.6 oC,
- Solubility: Slightly soluble (16 g/l) (25 o C),
- PSA: 40.46000
- LogP: 0.81030
(3-Fluoro-1,2-phenylene)dimethanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019121858-1g |
(3-Fluoro-1,2-phenylene)dimethanol |
160485-42-7 | 95% | 1g |
426.22 USD | 2021-06-16 | |
| Crysdot LLC | CD12136790-1g |
(3-Fluoro-1,2-phenylene)dimethanol |
160485-42-7 | 95+% | 1g |
$518 | 2024-07-23 |
(3-Fluoro-1,2-phenylene)dimethanol Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
Additional information on (3-Fluoro-1,2-phenylene)dimethanol
Chemical Profile of (3-Fluoro-1,2-phenylene)dimethanol (CAS No. 160485-42-7)
Compound (3-Fluoro-1,2-phenylene)dimethanol, identified by its CAS number 160485-42-7, is a fluorinated aromatic diamine derivative that has garnered significant attention in the field of pharmaceutical and materials science. This compound belongs to a class of molecules that exhibit unique structural and electronic properties, making it a valuable intermediate in the synthesis of various functional materials and bioactive molecules.
The molecular structure of (3-Fluoro-1,2-phenylene)dimethanol consists of a biphenyl core substituted with a fluorine atom at the 3-position and two hydroxymethyl groups at the 1 and 2 positions. This specific arrangement imparts distinct chemical reactivity and physical properties, which are highly relevant for its applications in drug discovery and material engineering. The presence of the fluorine atom, in particular, plays a crucial role in modulating the electronic distribution and metabolic stability of the compound.
In recent years, there has been a growing interest in fluorinated aromatic compounds due to their ability to enhance the pharmacokinetic profiles of pharmaceuticals. The fluorine atom can influence the lipophilicity, metabolic stability, and binding affinity of drug molecules. For instance, studies have shown that fluorination at specific positions on aromatic rings can lead to improved bioavailability and reduced susceptibility to enzymatic degradation. This has made compounds like (3-Fluoro-1,2-phenylene)dimethanol valuable scaffolds for medicinal chemists.
One of the most compelling aspects of (3-Fluoro-1,2-phenylene)dimethanol is its utility as a building block in the synthesis of more complex molecules. Researchers have leveraged its reactive hydroxymethyl groups to introduce various functional groups through condensation reactions, leading to the formation of polymers, dendrimers, and other advanced materials. Additionally, the fluorine-substituted biphenyl core serves as an excellent platform for designing molecules with specific electronic properties, making it relevant for applications in organic electronics and optoelectronics.
The pharmaceutical industry has also explored the potential of (3-Fluoro-1,2-phenylene)dimethanol in developing novel therapeutic agents. Its structural features suggest that it could be incorporated into drug candidates targeting various diseases, including cancer and neurological disorders. Preliminary studies have indicated that derivatives of this compound may exhibit inhibitory activity against certain enzymes and receptors involved in disease pathways. While further research is needed to fully elucidate its therapeutic potential, these findings underscore its importance as a chemical entity with significant biological relevance.
Advances in synthetic methodologies have enabled more efficient access to (3-Fluoro-1,2-phenylene)dimethanol and its derivatives. Modern techniques such as transition-metal-catalyzed cross-coupling reactions have streamlined the construction of complex fluorinated aromatic structures. These methods not only improve yield but also allow for greater functional group diversity, expanding the synthetic toolkit available to researchers. Such advancements are crucial for accelerating the discovery and development of new materials and drugs.
The role of computational chemistry in studying (3-Fluoro-1,2-phenylene)dimethanol cannot be overstated. Molecular modeling techniques provide insights into the compound's behavior at the atomic level, helping researchers predict its reactivity and interactions with other molecules. These computational studies are often complemented by experimental investigations, leading to a more comprehensive understanding of its properties. The integration of computational methods with traditional synthetic approaches has become standard practice in modern chemical research.
In conclusion, (3-Fluoro-1,2-phenylene)dimethanol (CAS No. 160485-42-7) is a multifaceted compound with applications spanning pharmaceuticals and advanced materials. Its unique structural features make it a valuable intermediate for synthesizing bioactive molecules and functional materials. As research continues to uncover new applications for this compound, it is likely to remain a cornerstone in both academic and industrial settings.
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