Cas no 117054-76-9 (2-Chloro-3-nitrobenzamide)
2-Chloro-3-nitrobenzamide Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-3-nitrobenzamide
- Benzamide, 2-chloro-3-nitro-
- Benzamide,2-chloro-3-nitro
- SY012811
- YKTHIYUTPYYKGA-UHFFFAOYSA-N
- BS-19293
- AKOS022183185
- SCHEMBL308476
- 117054-76-9
- MFCD00482025
- SB78013
- DTXSID80443390
- DB-060953
-
- MDL: MFCD00482025
- Inchi: 1S/C7H5ClN2O3/c8-6-4(7(9)11)2-1-3-5(6)10(12)13/h1-3H,(H2,9,11)
- InChI Key: YKTHIYUTPYYKGA-UHFFFAOYSA-N
- SMILES: ClC1C(=CC=CC=1C(N)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 199.99900
- Monoisotopic Mass: 199.9988697g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 228
- 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: 1.3
- Topological Polar Surface Area: 88.9?2
Experimental Properties
- Boiling Point: 302.0±27.0℃/760mmHg
- PSA: 89.90000
- LogP: 2.75450
2-Chloro-3-nitrobenzamide Customs Data
- HS CODE:2924299090
- Customs Data:
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-Chloro-3-nitrobenzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y24735-10g |
2-Chloro-3-nitrobenzamide |
117054-76-9 | 97% | 10g |
¥6309.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y24735-25g |
2-Chloro-3-nitrobenzamide |
117054-76-9 | 97% | 25g |
¥14929.0 | 2023-09-05 | |
| Apollo Scientific | OR470205-1g |
2-Chloro-3-nitrobenzamide |
117054-76-9 | 1g |
£125.00 | 2025-02-20 | ||
| Apollo Scientific | OR470205-5g |
2-Chloro-3-nitrobenzamide |
117054-76-9 | 5g |
£450.00 | 2025-02-20 | ||
| abcr | AB548661-1 g |
2-Chloro-3-nitrobenzamide; . |
117054-76-9 | 1g |
€495.50 | 2022-08-31 | ||
| abcr | AB548661-5 g |
2-Chloro-3-nitrobenzamide; . |
117054-76-9 | 5g |
€878.00 | 2022-08-31 | ||
| abcr | AB548661-10 g |
2-Chloro-3-nitrobenzamide; . |
117054-76-9 | 10g |
€1,328.00 | 2022-08-31 | ||
| Alichem | A015001933-250mg |
2-Chloro-3-nitrobenzamide |
117054-76-9 | 97% | 250mg |
$504.00 | 2023-09-04 | |
| Alichem | A015001933-500mg |
2-Chloro-3-nitrobenzamide |
117054-76-9 | 97% | 500mg |
$831.30 | 2023-09-04 | |
| Alichem | A015001933-1g |
2-Chloro-3-nitrobenzamide |
117054-76-9 | 97% | 1g |
$1460.20 | 2023-09-04 |
2-Chloro-3-nitrobenzamide Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
Additional information on 2-Chloro-3-nitrobenzamide
Comprehensive Overview of 2-Chloro-3-nitrobenzamide (CAS No. 117054-76-9): Properties, Applications, and Industry Insights
2-Chloro-3-nitrobenzamide (CAS No. 117054-76-9) is a specialized organic compound widely recognized for its role in pharmaceutical intermediates and agrochemical synthesis. This yellow crystalline powder, with a molecular formula of C7H5ClN2O3, has garnered significant attention due to its unique chemical properties, including a melting point range of 160-165°C and moderate solubility in polar solvents like dimethyl sulfoxide (DMSO). Researchers and manufacturers frequently search for "2-Chloro-3-nitrobenzamide synthesis" or "CAS 117054-76-9 suppliers," reflecting its industrial demand.
In recent years, the compound has been linked to innovations in crop protection chemicals and antibacterial agent development, aligning with global trends toward sustainable agriculture and antimicrobial resistance (AMR) solutions. Analytical techniques such as HPLC purity testing and NMR characterization are critical for quality control, as emphasized in peer-reviewed journals. Environmental concerns have also driven searches for "biodegradation of nitrobenzamide derivatives," prompting studies on its ecological impact.
The structural features of 2-Chloro-3-nitrobenzamide—a chloro group at the 2-position and a nitro group at the 3-position—enable diverse reactivity patterns. This makes it valuable for constructing heterocyclic frameworks, particularly in quinoline and benzimidazole syntheses. Patent databases reveal its utility in photostabilizers for polymers, addressing UV degradation challenges in packaging materials—a hotspot for material science research.
From a regulatory standpoint, compliance with REACH and FDA guidelines for impurities is essential for commercial distribution. Supply chain transparency remains a key concern, with platforms like PubChem and ChemSpider providing vital data for verification. As synthetic biology advances, engineered pathways for nitroaromatic biosynthesis may offer greener production alternatives to traditional nitration methods.
Emerging applications include its use as a fluorescence probe precursor in biochemical assays, capitalizing on the nitro group's electron-withdrawing properties. This aligns with the growing diagnostic reagents market, projected to exceed $10 billion by 2027. Furthermore, computational chemistry studies explore its molecular docking potential with enzyme targets, relevant to drug discovery pipelines.
Storage recommendations typically advise protection from light and moisture, with stability data indicating degradation risks above 40°C. Industrial scale-up challenges, such as byproduct minimization during chlorination steps, are frequently discussed in process chemistry forums. The compound's logP value (~1.8) also makes it a candidate for lipophilicity optimization studies in medicinal chemistry.
In summary, 2-Chloro-3-nitrobenzamide (CAS No. 117054-76-9) represents a versatile building block bridging multiple scientific disciplines. Its evolving applications—from agrochemicals to advanced materials—underscore the importance of ongoing research into safer synthesis routes and novel functionalizations, meeting both industrial needs and environmental priorities.
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