Cas no 91552-19-1 (4-(2-chlorophenyl)butanenitrile)
4-(2-chlorophenyl)butanenitrile Chemical and Physical Properties
Names and Identifiers
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- 4-(2-chlorophenyl)butanenitrile
- Benzenebutanenitrile, 2-chloro-
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- Inchi: 1S/C10H10ClN/c11-10-7-2-1-5-9(10)6-3-4-8-12/h1-2,5,7H,3-4,6H2
- InChI Key: RVNYXSJZQZDABR-UHFFFAOYSA-N
- SMILES: C1(CCCC#N)=CC=CC=C1Cl
Computed Properties
- Exact Mass: 179.0501770g/mol
- Monoisotopic Mass: 179.0501770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 2.9
- Topological Polar Surface Area: 23.8?2
4-(2-chlorophenyl)butanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-132841-0.05g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95.0% | 0.05g |
$168.0 | 2025-02-21 | |
| Enamine | EN300-132841-0.1g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95.0% | 0.1g |
$252.0 | 2025-02-21 | |
| Enamine | EN300-132841-0.25g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95.0% | 0.25g |
$361.0 | 2025-02-21 | |
| Enamine | EN300-132841-0.5g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95.0% | 0.5g |
$569.0 | 2025-02-21 | |
| Enamine | EN300-132841-1.0g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95.0% | 1.0g |
$728.0 | 2025-02-21 | |
| Enamine | EN300-132841-2.5g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95.0% | 2.5g |
$1428.0 | 2025-02-21 | |
| Enamine | EN300-132841-5.0g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95.0% | 5.0g |
$2110.0 | 2025-02-21 | |
| Enamine | EN300-132841-10.0g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95.0% | 10.0g |
$3131.0 | 2025-02-21 | |
| Chemenu | CM466411-1g |
4-(2-chlorophenyl)butanenitrile |
91552-19-1 | 95%+ | 1g |
$884 | 2023-03-22 | |
| Ambeed | A1037783-1g |
4-(2-Chlorophenyl)butanenitrile |
91552-19-1 | 95% | 1g |
$527.0 | 2025-04-15 |
4-(2-chlorophenyl)butanenitrile Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
Additional information on 4-(2-chlorophenyl)butanenitrile
Introduction to 4-(2-Chlorophenyl)butanenitrile (CAS No. 91552-19-1)
4-(2-Chlorophenyl)butanenitrile, with the CAS number 91552-19-1, is a versatile organic compound that has garnered significant attention in recent years due to its potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its unique molecular structure, which consists of a butanenitrile group attached to a 2-chlorophenyl ring. The combination of these functional groups imparts distinct chemical properties that make it an attractive candidate for a wide range of applications.
The molecular formula of 4-(2-chlorophenyl)butanenitrile is C10H9ClN, and its molecular weight is approximately 186.63 g/mol. The compound is typically synthesized through a series of well-established chemical reactions, such as the reaction of 2-chlorobenzyl chloride with acrylonitrile in the presence of a suitable catalyst. The resulting product can be further purified using techniques like column chromatography or recrystallization to ensure high purity and consistency.
In the pharmaceutical industry, 4-(2-chlorophenyl)butanenitrile has shown promise as an intermediate in the synthesis of various drugs and drug candidates. Its nitrile group can be readily converted into other functional groups, such as carboxylic acids or amines, through standard chemical transformations. This versatility makes it a valuable building block in the development of new therapeutic agents. Recent studies have explored its potential in the synthesis of anti-inflammatory drugs, anticancer agents, and neuroprotective compounds.
One notable application of 4-(2-chlorophenyl)butanenitrile is in the field of materials science. The compound can be used as a monomer or co-monomer in the synthesis of polymers with unique properties. For example, copolymers containing 4-(2-chlorophenyl)butanenitrile units have been shown to exhibit enhanced thermal stability and mechanical strength, making them suitable for use in high-performance materials and coatings. These materials have found applications in industries such as electronics, automotive, and aerospace.
The physical properties of 4-(2-chlorophenyl)butanenitrile are also noteworthy. It is a colorless liquid at room temperature with a boiling point around 170°C at atmospheric pressure. The compound is slightly soluble in water but highly soluble in organic solvents such as ethanol, acetone, and dichloromethane. These solubility characteristics make it easy to handle and process in various chemical reactions and industrial applications.
In terms of safety and environmental impact, 4-(2-chlorophenyl)butanenitrile should be handled with care to avoid exposure to skin and eyes. Proper personal protective equipment (PPE) should be worn when working with this compound. Additionally, it is important to follow all relevant safety guidelines and regulations to ensure safe storage and disposal practices.
The latest research on 4-(2-chlorophenyl)butanenitrile has focused on optimizing its synthesis methods to improve yield and purity while reducing environmental impact. For instance, green chemistry approaches have been explored to develop more sustainable synthesis routes that minimize waste generation and energy consumption. These efforts not only enhance the economic viability of producing this compound but also contribute to broader sustainability goals in the chemical industry.
In conclusion, 4-(2-chlorophenyl)butanenitrile (CAS No. 91552-19-1) is a multifaceted organic compound with significant potential across various industries. Its unique chemical properties and versatile reactivity make it an important molecule for both academic research and industrial applications. As research continues to advance, it is likely that new uses for this compound will be discovered, further expanding its impact on science and technology.
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