Cas no 34662-29-8 (3-Chloro-4-nitrobenzonitrile)
3-Chloro-4-nitrobenzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Chloro-4-nitrobenzonitrile
- 1-chloro-5-cyano-2-nitrobenzene
- 2-chloro-4-cyanonitrobenzene
- 3-Chlor-4-nitro-benzonitril
- 3-chloro-4-nitro-benzonitrile
- 4-nitro-3-chlorobenzonitrile
- Benzonitrile,3-chloro-4-nitro
- Benzonitrile, 3-chloro-4-nitro-
- PAIMPYHIOHKXAT-UHFFFAOYSA-N
- AK142385
- AM807293
- AB0000195
- ST2405023
-
- MDL: MFCD02317167
- Inchi: 1S/C7H3ClN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
- InChI Key: PAIMPYHIOHKXAT-UHFFFAOYSA-N
- SMILES: ClC1C=C(C#N)C=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 181.98800
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 229
- XLogP3: 2.2
- Topological Polar Surface Area: 69.6
Experimental Properties
- PSA: 69.61000
- LogP: 2.64308
3-Chloro-4-nitrobenzonitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-Chloro-4-nitrobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013027629-250mg |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 97% | 250mg |
$499.20 | 2023-09-02 | |
| Alichem | A013027629-500mg |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 97% | 500mg |
$863.90 | 2023-09-02 | |
| Alichem | A013027629-1g |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 97% | 1g |
$1534.70 | 2023-09-02 | |
| Chemenu | CM154638-1g |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 95+% | 1g |
$192 | 2021-06-17 | |
| Chemenu | CM154638-5g |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 95+% | 5g |
$526 | 2021-06-17 | |
| Chemenu | CM154638-10g |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 95+% | 10g |
$785 | 2021-06-17 | |
| TRC | C109380-50mg |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 50mg |
$ 200.00 | 2022-06-06 | ||
| TRC | C109380-100mg |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 100mg |
$ 325.00 | 2022-06-06 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C846124-250mg |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 98% | 250mg |
¥162.00 | 2022-09-29 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GX572-100mg |
3-Chloro-4-nitrobenzonitrile |
34662-29-8 | 98% | 100mg |
182CNY | 2021-05-08 |
3-Chloro-4-nitrobenzonitrile Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
Additional information on 3-Chloro-4-nitrobenzonitrile
Professional Introduction to 3-Chloro-4-nitrobenzonitrile (CAS No. 34662-29-8)
3-Chloro-4-nitrobenzonitrile, with the chemical formula C?H?ClN?O? and the CAS number 34662-29-8, is a significant intermediate in the field of organic synthesis and pharmaceutical development. This compound, characterized by its chloro and nitro substituents on a benzonitrile backbone, has garnered considerable attention due to its versatile reactivity and utility in constructing more complex molecular architectures.
The structural motif of 3-Chloro-4-nitrobenzonitrile makes it a valuable building block for the synthesis of various pharmacologically active agents. The presence of both electron-withdrawing nitro and chloro groups enhances its participation in nucleophilic substitution reactions, making it particularly useful in the preparation of heterocyclic compounds and biologically relevant molecules. Recent advancements in medicinal chemistry have highlighted its role in developing novel therapeutic agents targeting a range of diseases.
In the realm of drug discovery, 3-Chloro-4-nitrobenzonitrile has been employed in the synthesis of inhibitors for enzymes involved in metabolic pathways. For instance, studies have demonstrated its utility in creating derivatives that modulate kinases and phosphodiesterases, which are key players in cancer signaling pathways. The nitro group can be reduced to an amine, expanding the scope of functionalization and allowing for further derivatization into more complex structures.
Moreover, the compound's reactivity with transition metals has opened new avenues for catalytic applications. Palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Heck couplings, have been utilized to introduce aryl groups or alkenes at specific positions on the benzonitrile ring. These transformations have enabled the construction of biaryl compounds, which are prevalent in many pharmaceuticals due to their enhanced binding affinity to biological targets.
Recent research has also explored the use of 3-Chloro-4-nitrobenzonitrile in material science applications. Its ability to undergo polymerization reactions has been leveraged to create conductive polymers and organic semiconductors. These materials are increasingly relevant in the development of flexible electronics and organic light-emitting diodes (OLEDs), where precise control over molecular structure is crucial for optimizing performance.
The compound's stability under various reaction conditions makes it a reliable choice for synthetic chemists. It can be stored and handled under standard laboratory conditions without significant degradation, ensuring consistent yields in multi-step syntheses. Additionally, its compatibility with a wide range of solvents and reagents enhances its versatility in different synthetic protocols.
In conclusion, 3-Chloro-4-nitrobenzonitrile (CAS No. 34662-29-8) is a multifaceted intermediate with broad applications across pharmaceuticals and materials science. Its unique structural features facilitate diverse chemical transformations, making it an indispensable tool for synthetic chemists aiming to develop novel compounds with therapeutic potential. As research continues to uncover new methodologies for functionalizing this core structure, its importance is likely to grow further.
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