Cas no 875664-40-7 (2-Hydroxy-5-(trifluoromethoxy)benzonitrile)
2-Hydroxy-5-(trifluoromethoxy)benzonitrile is a fluorinated aromatic compound featuring both hydroxyl and trifluoromethoxy functional groups, offering unique reactivity and stability. The presence of the electron-withdrawing trifluoromethoxy group enhances its utility in pharmaceutical and agrochemical synthesis, where such moieties are often sought for their metabolic resistance and lipophilicity. The nitrile group provides a versatile handle for further derivatization, enabling applications in heterocycle formation or coupling reactions. Its structural features make it a valuable intermediate in the development of bioactive molecules, particularly in the design of enzyme inhibitors or receptor modulators. The compound's well-defined reactivity profile ensures consistent performance in synthetic workflows.
875664-40-7 structure
Product Name:2-Hydroxy-5-(trifluoromethoxy)benzonitrile
CAS No:875664-40-7
MF:C8H4F3NO2
MW:203.118072509766
CID:93109
PubChem ID:24721643
Update Time:2025-06-08
2-Hydroxy-5-(trifluoromethoxy)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Hydroxy-5-(trifluoromethoxy)benzonitrile
- AKOS005254756
- MFCD04973781
- SCHEMBL17091337
- 875664-40-7
- GOAVRYAOBXORSY-UHFFFAOYSA-N
- MFCD094973781
- A929337
- DTXSID20641075
- CS-0107226
-
- MDL： MFCD04973781
- Inchi： 1S/C8H4F3NO2/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-3,13H
- InChI Key： GOAVRYAOBXORSY-UHFFFAOYSA-N
- SMILES： FC(OC1C=CC(=C(C#N)C=1)O)(F)F
Computed Properties
- Exact Mass: 203.01900
- Monoisotopic Mass: 203.01941286g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 245
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 3
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- Color/Form: Light brown powder
- Density: 1.49
- Melting Point: 84-87°C
- Boiling Point: 246.9°C at 760 mmHg
- Flash Point: 103.1°C
- Refractive Index: 1.494
- PSA: 53.25000
- LogP: 2.16248
- Solubility: Not determined
2-Hydroxy-5-(trifluoromethoxy)benzonitrile Security Information
- Hazardous Material transportation number：UN3439
- HazardClass：6.1
- PackingGroup：III
- Packing Group：III
- Safety Term：6.1
2-Hydroxy-5-(trifluoromethoxy)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A014003387-1g |
2-Hydroxy-5-(trifluoromethoxy)benzonitrile |
875664-40-7 | 95% | 1g |
$401.33 | 2023-08-31 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | H26101-1g |
2-Hydroxy-5-(trifluoromethoxy)benzonitrile, 95% |
875664-40-7 | 95% | 1g |
￥4021.00 | 2023-02-15 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1177866-5g |
2-Hydroxy-5-(trifluoromethoxy)benzonitrile |
875664-40-7 | 97% | 5g |
￥7900.00 | 2024-04-27 |
2-Hydroxy-5-(trifluoromethoxy)benzonitrile Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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