Cas no 1121586-25-1 (3-Fluoro-5-(trichloromethyl)benzonitrile)
3-Fluoro-5-(trichloromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Fluoro-5-(trichloromethyl)benzonitrile
- 3-fluoro-5-(trichloromethyl)-Benzonitrile
- AG-D-31103
- AK136421
- AS02605
- CTK4A7684
- KB-182132
- KB-182133
- DTXSID30679622
- 1121586-25-1
- AKOS015995371
-
- MDL: MFCD12025481
- Inchi: 1S/C8H3Cl3FN/c9-8(10,11)6-1-5(4-13)2-7(12)3-6/h1-3H
- InChI Key: XNVIMZCRKHTBHR-UHFFFAOYSA-N
- SMILES: ClC(C1C=C(C=C(C#N)C=1)F)(Cl)Cl
Computed Properties
- Exact Mass: 236.931510g/mol
- Monoisotopic Mass: 236.931510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 3.4
- Topological Polar Surface Area: 23.8?2
3-Fluoro-5-(trichloromethyl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019096419-1g |
3-Fluoro-5-(trichloromethyl)benzonitrile |
1121586-25-1 | 95% | 1g |
$998.00 | 2023-09-04 | |
| Ambeed | A807691-1g |
3-Fluoro-5-(trichloromethyl)benzonitrile |
1121586-25-1 | 95+% | 1g |
$184.0 | 2024-04-26 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1757436-1g |
3-Fluoro-5-(trichloromethyl)benzonitrile |
1121586-25-1 | 98% | 1g |
¥1803.00 | 2024-08-09 |
3-Fluoro-5-(trichloromethyl)benzonitrile Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
Additional information on 3-Fluoro-5-(trichloromethyl)benzonitrile
Introduction to 3-Fluoro-5-(trichloromethyl)benzonitrile (CAS No. 1121586-25-1)
3-Fluoro-5-(trichloromethyl)benzonitrile (CAS No. 1121586-25-1) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound is characterized by its unique molecular structure, which includes a fluoro substituent and a trichloromethyl group attached to a benzonitrile backbone. The combination of these functional groups imparts distinct chemical and physical properties, making it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals.
The molecular formula of 3-Fluoro-5-(trichloromethyl)benzonitrile is C8H3Cl3FN2, with a molecular weight of approximately 247.46 g/mol. The compound is typically synthesized through a series of well-defined chemical reactions, including the substitution of halogens on a benzene ring and the introduction of the nitrile group. Recent advancements in synthetic chemistry have led to more efficient and environmentally friendly methods for producing this compound, which has further enhanced its utility in industrial applications.
In the context of pharmaceutical research, 3-Fluoro-5-(trichloromethyl)benzonitrile has been explored as a key intermediate in the development of novel drugs. Its unique structure allows for the modulation of biological activity through targeted modifications. For instance, the fluoro substituent can enhance the lipophilicity and metabolic stability of drug candidates, while the trichloromethyl group can impart specific pharmacological properties such as increased potency or selectivity. These features make it an attractive starting material for drug discovery programs aimed at addressing unmet medical needs.
Recent studies have also highlighted the potential of 3-Fluoro-5-(trichloromethyl)benzonitrile in the development of agrochemicals. Its ability to withstand harsh environmental conditions and its low toxicity profile make it suitable for use in pesticides and herbicides. Researchers have reported that compounds derived from this intermediate exhibit excellent efficacy against various plant pathogens and pests, while minimizing adverse effects on non-target organisms and the environment.
The physical properties of 3-Fluoro-5-(trichloromethyl)benzonitrile, such as its melting point, boiling point, and solubility, are crucial for its handling and application in both laboratory and industrial settings. The compound is generally stable under standard conditions but requires careful storage to prevent degradation or contamination. Its low solubility in water but high solubility in organic solvents facilitates its use in organic synthesis reactions.
In terms of safety, while 3-Fluoro-5-(trichloromethyl)benzonitrile is not classified as a hazardous material under current regulations, it is important to handle it with appropriate precautions to ensure worker safety and environmental protection. Personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn when handling this compound, and proper ventilation should be maintained in the laboratory environment.
The market demand for 3-Fluoro-5-(trichloromethyl)benzonitrile has been steadily increasing due to its wide range of applications in various industries. Pharmaceutical companies are particularly interested in this compound for its potential to enhance drug efficacy and reduce side effects. Similarly, agrochemical manufacturers are exploring its use in developing more sustainable pest control solutions.
In conclusion, 3-Fluoro-5-(trichloromethyl)benzonitrile (CAS No. 1121586-25-1) is a multifaceted compound with significant potential in both pharmaceutical and agrochemical applications. Its unique molecular structure and favorable properties make it an essential intermediate in the synthesis of advanced materials and products. Ongoing research continues to uncover new possibilities for its use, further solidifying its importance in modern scientific endeavors.
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