Cas no 886498-99-3 (3-Fluoro-4-(trifluoromethoxy)benzyl alcohol)
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol Chemical and Physical Properties
Names and Identifiers
-
- (3-Fluoro-4-(trifluoromethoxy)phenyl)methanol
- [3-fluoro-4-(trifluoromethoxy)phenyl]methanol
- 3-FLUORO-4-(TRIFLUOROMETHOXY)BENZYL ALCOHOL
- (3-fluoro-4-trifluoromethoxy-phenyl)-methanol
- 3-fluoro-4-trifluoromethoxybenzyl alcohol
- JRD-1735
- SCHEMBL2447332
- AKOS015956733
- MFCD06660204
- 886498-99-3
- D74501
- DTXSID20590635
- CS-0084354
- JS-4406
- DB-327741
- 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol
-
- MDL: F187752
- Inchi: 1S/C8H6F4O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3,13H,4H2
- InChI Key: YWURSIMNFATYRB-UHFFFAOYSA-N
- SMILES: FC1C=C(CO)C=CC=1OC(F)(F)F
Computed Properties
- Exact Mass: 210.03000
- Monoisotopic Mass: 210.03039208g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- 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: 2.3
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.421
- Boiling Point: 207.2°C at 760 mmHg
- Flash Point: 103.8°C
- Refractive Index: 1.451
- PSA: 29.46000
- LogP: 2.21660
- Vapor Pressure: 0.1±0.4 mmHg at 25°C
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM186109-5g |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 95% | 5g |
$341 | 2021-06-16 | |
| Alichem | A019120448-5g |
(3-Fluoro-4-(trifluoromethoxy)phenyl)methanol |
886498-99-3 | 95% | 5g |
$400.00 | 2023-08-31 | |
| TRC | F598943-100mg |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 100mg |
$69.00 | 2023-05-18 | ||
| TRC | F598943-250mg |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 250mg |
$133.00 | 2023-05-18 | ||
| TRC | F598943-500mg |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 500mg |
$190.00 | 2023-05-18 | ||
| TRC | F598943-1g |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 1g |
$276.00 | 2023-05-18 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F187752-1g |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 98% | 1g |
¥927.90 | 2023-09-02 | |
| Apollo Scientific | PC5474-1g |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 98% | 1g |
£120.00 | 2025-02-21 | |
| Apollo Scientific | PC5474-5g |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 98% | 5g |
£248.00 | 2023-09-01 | |
| Apollo Scientific | PC5474-10g |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol |
886498-99-3 | 98% | 10g |
£446.00 | 2023-09-01 |
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
Additional information on 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol
Introduction to 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol (CAS No. 886498-99-3) in Modern Chemical and Pharmaceutical Research
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol, identified by the chemical compound code CAS No. 886498-99-3, represents a significant advancement in the realm of specialized organic chemistry. This compound, characterized by its unique structural composition featuring both a fluoro group and a trifluoromethoxy substituent on a benzyl alcohol backbone, has garnered considerable attention in recent years due to its versatile applications across multiple scientific disciplines. The strategic placement of these halogenated functional groups imparts distinct electronic and steric properties, making it a valuable intermediate in the synthesis of complex molecules.
The fluoro and trifluoromethoxy groups are not merely decorative; they play pivotal roles in modulating the reactivity and selectivity of the molecule. The electron-withdrawing nature of these substituents can significantly influence the acidity or basicity of adjacent functional groups, thereby enabling precise control over reaction pathways. This characteristic is particularly advantageous in pharmaceutical synthesis, where regioselectivity is often a critical factor in achieving desired drug candidates.
In recent years, there has been a surge in research exploring the applications of fluorinated aromatic compounds in medicinal chemistry. The presence of fluorine atoms is well-documented to enhance metabolic stability, improve binding affinity to biological targets, and modulate pharmacokinetic properties of drug molecules. For instance, studies have demonstrated that fluorine substitution can lead to increased lipophilicity and reduced susceptibility to enzymatic degradation, thereby extending the half-life of therapeutic agents.
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol serves as an excellent building block for constructing more complex pharmacophores. Its benzyl alcohol moiety can act as a nucleophilic handle for further functionalization via cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. These reactions are fundamental in modern drug discovery, allowing chemists to seamlessly integrate diverse molecular fragments into larger scaffolds.
The pharmaceutical industry has shown particular interest in this compound due to its potential utility in developing novel therapeutics. Current research initiatives are leveraging its structural features to design molecules with enhanced efficacy against various diseases, including oncology and neurodegenerative disorders. Preliminary studies indicate that derivatives of 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol exhibit promising biological activity by interacting with key enzymes or receptors involved in disease pathways.
Beyond pharmaceutical applications, this compound finds utility in agrochemical research as well. The unique electronic properties conferred by the halogen substituents make it an attractive candidate for synthesizing advanced crop protection agents with improved environmental profiles and enhanced performance characteristics.
The synthesis of 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol itself presents an intriguing challenge for organic chemists. Given its complexity, multiple synthetic routes have been explored, each with distinct advantages and limitations. Recent advances in catalytic methods have enabled more efficient and scalable production processes, reducing costs and improving yields. These developments are crucial for ensuring that sufficient quantities of the compound are available for both academic research and industrial applications.
In conclusion, 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol (CAS No. 886498-99-3) stands as a testament to the power of structural tailoring in modern chemistry. Its unique combination of functional groups makes it an indispensable tool for researchers striving to push the boundaries of molecular design. As our understanding of its properties continues to grow, so too will its role in shaping the future of pharmaceuticals and beyond.
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