Cas no 28163-00-0 (2-Chloro-4-nitrobenzonitrile)
2-Chloro-4-nitrobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-4-nitrobenzonitrile
- Benzonitrile, 2-chloro-4-nitro-
- 2-Chlor-4-nitrobenzonitril
- 2-chloro-4-nitrobenzenecarbonitrile
- 2-chloro-4-nitro-benzonitrile
- 2-Chloro-4-nitrobenzotrifluoride
- 4-nitro-2-chlorobenzonitrile
- chloronitrobenzenecarbonitrile
- 3-Chloro-4-cyanonitrobenzene
- ZIGQFRQZYVQQDR-UHFFFAOYSA-N
- PubChem18759
- KSC497K1R
- SBB064814
- VZ24268
- TRA0077519
- R125
- SY007287
- AB0018004
- ST2404328
- ST
- A920970
- C3122
- DTXSID70182428
- AKOS005073018
- MFCD00052203
- CS-W017084
- J-508776
- JS-188C
- 28163-00-0
- SCHEMBL2477528
- FT-0611791
- AC-26147
- EN300-133745
- 2-chloro-4-nitro benzonitrile
- DB-014075
- DTXCID80104919
-
- MDL: MFCD00052203
- Inchi: 1S/C7H3ClN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H
- InChI Key: ZIGQFRQZYVQQDR-UHFFFAOYSA-N
- SMILES: ClC1=C(C#N)C=CC(=C1)[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: 2.2
- Topological Polar Surface Area: 69.6
Experimental Properties
- Color/Form: Beige powder
- Density: 1.6133 (rough estimate)
- Melting Point: 78-80 oC
- Boiling Point: 337.0±27.0 °C at 760 mmHg
- Flash Point: 157.6℃
- Refractive Index: 1.5557 (estimate)
- PSA: 69.61000
- LogP: 2.64308
- Solubility: Not determined
2-Chloro-4-nitrobenzonitrile Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:3276
- Hazard Category Code: R20/21/22;R36/37/38
- Safety Instruction: S36/37/39-S26-S22
-
Hazardous Material Identification:
- Packing Group:III
- Hazard Level:6.1
- Safety Term:6.1
- Packing Group:III
- Risk Phrases:R20/21/22; R36/37/38
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Store at room temperature
2-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%
2-Chloro-4-nitrobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM157096-10g |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 95+% | 10g |
$282 | 2021-06-17 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | C3122-5G |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | >98.0%(GC) | 5g |
¥395.00 | 2024-04-16 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C133777-100g |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 98% | 100g |
¥3035.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C133777-1g |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 98% | 1g |
¥84.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C133777-25g |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 98% | 25g |
¥908.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C133777-5g |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 98% | 5g |
¥270.90 | 2023-09-03 | |
| Alichem | A013027627-250mg |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 97% | 250mg |
$489.60 | 2023-09-02 | |
| Alichem | A013027627-500mg |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 97% | 500mg |
$823.15 | 2023-09-02 | |
| Alichem | A013027627-1g |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 97% | 1g |
$1490.00 | 2023-09-02 | |
| Chemenu | CM157096-10g |
2-Chloro-4-nitrobenzonitrile |
28163-00-0 | 95+% | 10g |
$74 | 2024-07-28 |
2-Chloro-4-nitrobenzonitrile Suppliers
2-Chloro-4-nitrobenzonitrile Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
Additional information on 2-Chloro-4-nitrobenzonitrile
Research Brief on 2-Chloro-4-nitrobenzonitrile (CAS: 28163-00-0): Recent Advances and Applications in Chemical Biology and Pharmaceutical Research
2-Chloro-4-nitrobenzonitrile (CAS: 28163-00-0) is a nitro-substituted benzonitrile derivative that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including agrochemicals, pharmaceuticals, and materials science applications. Recent studies have explored its utility in drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents. This research brief synthesizes the latest findings on this compound, highlighting its chemical properties, synthetic applications, and biological activities.
Recent literature has emphasized the role of 2-Chloro-4-nitrobenzonitrile as a building block in medicinal chemistry. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its use in the synthesis of novel tyrosine kinase inhibitors, which showed promising activity against resistant cancer cell lines. The nitro and chloro functional groups in this compound provide reactive sites for further derivatization, enabling the creation of diverse chemical libraries for high-throughput screening. Additionally, its electron-withdrawing properties make it a valuable scaffold for designing molecules with enhanced binding affinity to biological targets.
In the realm of antimicrobial research, 2-Chloro-4-nitrobenzonitrile has been investigated as a precursor for compounds with potent activity against multidrug-resistant bacterial strains. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported the synthesis of a series of derivatives that exhibited significant inhibition of Staphylococcus aureus and Escherichia coli. The study highlighted the importance of the nitro group in enhancing the compounds' ability to disrupt bacterial cell membranes. These findings underscore the potential of 2-Chloro-4-nitrobenzonitrile as a starting material for developing new classes of antibiotics.
From a synthetic chemistry perspective, advancements in catalytic methods have improved the efficiency of reactions involving 2-Chloro-4-nitrobenzonitrile. A recent publication in Advanced Synthesis & Catalysis detailed a palladium-catalyzed cross-coupling reaction that enabled the selective functionalization of this compound at the chloro position, yielding high-purity products with excellent yields. Such methodologies are critical for scaling up the production of derivatives for preclinical testing. Furthermore, computational studies have provided insights into the compound's reactivity patterns, aiding in the rational design of more efficient synthetic routes.
Looking ahead, the applications of 2-Chloro-4-nitrobenzonitrile are expected to expand into emerging areas such as targeted drug delivery and photopharmacology. Preliminary studies suggest that its nitro group can be exploited for light-activated drug release systems, offering spatiotemporal control over therapeutic activity. As research continues to uncover new facets of this versatile compound, it is poised to remain a focal point in the intersection of chemical biology and pharmaceutical innovation.
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