Cas no 34662-32-3 (4-Chloro-2-nitrobenzonitrile)
4-Chloro-2-nitrobenzonitrile Chemical and Physical Properties
Names and Identifiers
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- 4-Chloro-2-nitrobenzonitrile
- 2-Nitro-4-chlor-benzonitril
- 2-Nitro-4-chlorobenzonitrile
- 4-Chlor-2-nitro-benzonitril
- 4-Chloro-2-nitrobenzonitril
- 4-chloro-2-nitro-benzonitrile
- 5-Chloro-2-cyanonitrobenzene
- NSC 93896
- Benzonitrile, 4-chloro-2-nitro-
- 4-chloro-2-nitrobenzenecarbonitrile
- NSC93896
- KSC572O8N
- Benzonitrile,4-chloro-2-nitro-
- OZKOAADVLVCNFO-UHFFFAOYSA-N
- WT272
- TD1235
- BDBM50101950
- SBB065030
- VZ28730
- MFCD00027398
- AKOS006345194
- CHEMBL51654
- SCHEMBL1343562
- NSC-93896
- EINECS 252-133-0
- 4-Chloro-2-nitrobenzonitrile, 97%
- Z1201617593
- PS-3799
- A822335
- SY004375
- 34662-32-3
- FT-0601036
- NS00029704
- UNII-SA5YV6UQF5
- W-106717
- AC-3185
- EN300-112039
- SA5YV6UQF5
- CS-W002151
- DTXSID90188220
- 5-chloro-2-cyanonitrobenzene;2-nitro-4-chlorobenzonitrile;
- DB-006754
- DTXCID20110711
-
- MDL: MFCD00027398
- Inchi: 1S/C7H3ClN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
- InChI Key: OZKOAADVLVCNFO-UHFFFAOYSA-N
- SMILES: ClC1C=CC(C#N)=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 181.98800
- Monoisotopic Mass: 181.988
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2
- Topological Polar Surface Area: 69.6
Experimental Properties
- Color/Form: Pale yellow needle crystal
- Density: 1.47
- Melting Point: 95-100?°C
- Boiling Point: 313.5 °C at 760 mmHg
- Flash Point: 143.4℃
- Refractive Index: 1.599
- PSA: 69.61000
- LogP: 2.64308
- Sensitiveness: Sensitive to heat
4-Chloro-2-nitrobenzonitrile Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261-P305 + P351 + P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: 26
-
Hazardous Material Identification:
- Storage Condition:Sealed in dry,Room Temperature
4-Chloro-2-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%
4-Chloro-2-nitrobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 751170-25G |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 97% | 25G |
¥239.3 | 2022-02-24 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C848933-25g |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 95% | 25g |
¥77.40 | 2022-09-02 | |
| TRC | C381125-500mg |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 500mg |
$64.00 | 2023-05-18 | ||
| TRC | C381125-1g |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 1g |
$75.00 | 2023-05-18 | ||
| TRC | C381125-2.5g |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 2.5g |
$87.00 | 2023-05-18 | ||
| TRC | C381125-5g |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 5g |
$98.00 | 2023-05-18 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R022067-25g |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 95% | 25g |
¥84 | 2024-05-24 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C090A-25g |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 98% | 25g |
¥85.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C090A-100g |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 98% | 100g |
¥305.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C090A-5g |
4-Chloro-2-nitrobenzonitrile |
34662-32-3 | 98% | 5g |
¥36.0 | 2022-05-30 |
4-Chloro-2-nitrobenzonitrile Suppliers
4-Chloro-2-nitrobenzonitrile Related Literature
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Saravanan Krishnan,Paresh N. Patel,Kalpattu K. Balasubramanian,Anju Chadha New J. Chem. 2021 45 1915
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C. M. Atkinson,J. C. E. Simpson J. Chem. Soc. 1947 232
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3. 283. The mobility of groups in certain benzonitrilesC. W. N. Holmes,J. D. Loudon J. Chem. Soc. 1940 1521
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5. 509. Thionaphthencarboxylic acidsG. M. Badger,D. J. Clark,W. Davies,K. T. H. Farrer,N. P. Kefford J. Chem. Soc. 1957 2624
Additional information on 4-Chloro-2-nitrobenzonitrile
Introduction to 4-Chloro-2-nitrobenzonitrile (CAS No. 34662-32-3)
4-Chloro-2-nitrobenzonitrile, with the chemical formula C?H?ClN?O? and CAS number 34662-32-3, is a significant intermediate in the field of organic synthesis and pharmaceutical development. This compound, characterized by its chloro and nitro substituents on a benzene ring with a nitrile group, has garnered attention due to its versatile reactivity and utility in constructing more complex molecules.
The structural features of 4-Chloro-2-nitrobenzonitrile make it a valuable building block for synthesizing various pharmacologically active compounds. The presence of both electron-withdrawing nitro and chloro groups enhances its participation in nucleophilic substitution reactions, making it particularly useful in medicinal chemistry. Researchers have leveraged these properties to develop novel therapeutic agents targeting diverse diseases.
In recent years, 4-Chloro-2-nitrobenzonitrile has been explored in the development of small-molecule inhibitors for enzymes involved in inflammatory pathways. For instance, studies have demonstrated its potential in modulating the activity of cyclooxygenase (COX) enzymes, which are key players in the production of prostaglandins that mediate inflammation and pain. The compound’s ability to undergo selective functionalization has allowed chemists to design derivatives with improved selectivity and reduced side effects.
Moreover, 4-Chloro-2-nitrobenzonitrile has found applications in the synthesis of heterocyclic compounds, which are prevalent in many bioactive molecules. The nitrile group can be converted into amides or carboxylic acids, while the chloro and nitro groups can be further modified through reduction or coupling reactions. This flexibility has made it a staple reagent in academic and industrial laboratories alike.
Recent advancements in green chemistry have also highlighted the importance of optimizing synthetic routes using 4-Chloro-2-nitrobenzonitrile. Researchers are focusing on developing more sustainable methodologies that minimize waste and hazardous byproducts. For example, catalytic processes have been employed to enhance reaction efficiency while reducing the reliance on harsh conditions.
The pharmaceutical industry has been particularly interested in 4-Chloro-2-nitrobenzonitrile due to its role in producing antiviral and anticancer agents. Its structural motif is often incorporated into molecules that interact with specific biological targets. A notable example is its use in synthesizing kinase inhibitors, which are crucial for treating cancers by disrupting signaling pathways that promote cell proliferation.
Another area of interest is the use of 4-Chloro-2-nitrobenzonitrile in material science, where it serves as a precursor for conductive polymers and organic electronic materials. The electron-deficient nature of the nitro and chloro groups allows for effective π-conjugation, which is essential for materials with high charge transport properties.
In conclusion, 4-Chloro-2-nitrobenzonitrile (CAS No. 34662-32-3) remains a cornerstone compound in synthetic chemistry due to its multifunctional reactivity and broad applicability. Its role in pharmaceutical development continues to evolve with advancements in synthetic methodologies and an increasing understanding of its biological interactions. As research progresses, new applications for this versatile intermediate are likely to emerge, further solidifying its importance in both academic and industrial settings.
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