Cas no 80026-18-2 (Benzene, 2-bromo-3,4-dichloro-1-nitro-)
Benzene, 2-bromo-3,4-dichloro-1-nitro- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 2-bromo-3,4-dichloro-1-nitro-
- 3-bromo-1,2-dichloro-4-nitrobenzene
- 2-Bromo-3,4-dichloro-1-nitrobenzene
- DTXSID60513787
- UQXHDRHVSHCNGL-UHFFFAOYSA-N
- SCHEMBL10996737
- 2-bromo-3,4-dichloronitrobenzene
- 80026-18-2
-
- Inchi: 1S/C6H2BrCl2NO2/c7-5-4(10(11)12)2-1-3(8)6(5)9/h1-2H
- InChI Key: UQXHDRHVSHCNGL-UHFFFAOYSA-N
- SMILES: BrC1C(=C(C=CC=1[N+](=O)[O-])Cl)Cl
Computed Properties
- Exact Mass: 268.86460g/mol
- Monoisotopic Mass: 268.86460g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 187
- 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: 3.7
- Topological Polar Surface Area: 45.8?2
Benzene, 2-bromo-3,4-dichloro-1-nitro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013018683-250mg |
1-Bromo-2,3-dichloro-6-nitrobenzene |
80026-18-2 | 97% | 250mg |
$475.20 | 2023-09-01 | |
| Alichem | A013018683-500mg |
1-Bromo-2,3-dichloro-6-nitrobenzene |
80026-18-2 | 97% | 500mg |
$782.40 | 2023-09-01 | |
| Alichem | A013018683-1g |
1-Bromo-2,3-dichloro-6-nitrobenzene |
80026-18-2 | 97% | 1g |
$1519.80 | 2023-09-01 |
Benzene, 2-bromo-3,4-dichloro-1-nitro- Related Literature
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
Additional information on Benzene, 2-bromo-3,4-dichloro-1-nitro-
Recent Advances in the Study of Benzene, 2-bromo-3,4-dichloro-1-nitro- (CAS: 80026-18-2) and Its Applications in Chemical Biology and Pharmaceutical Research
The compound Benzene, 2-bromo-3,4-dichloro-1-nitro- (CAS: 80026-18-2) has recently gained significant attention in chemical biology and pharmaceutical research due to its unique structural properties and potential applications. This halogenated nitrobenzene derivative exhibits remarkable reactivity patterns that make it valuable for various synthetic and medicinal chemistry applications. Recent studies have focused on exploring its role as a versatile building block in organic synthesis and investigating its biological activities.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers demonstrated the compound's effectiveness as a precursor in the synthesis of novel antimicrobial agents. The presence of multiple halogen substituents and the nitro group at the 1-position creates an electron-deficient aromatic system that facilitates nucleophilic aromatic substitution reactions, allowing for diverse structural modifications. The study reported successful derivatization of 80026-18-2 to produce compounds with significant activity against drug-resistant bacterial strains, particularly methicillin-resistant Staphylococcus aureus (MRSA).
Another important development comes from computational chemistry research published in ACS Omega, which employed density functional theory (DFT) calculations to analyze the electronic structure and reactivity of Benzene, 2-bromo-3,4-dichloro-1-nitro-. The study revealed that the compound's unique electronic distribution makes it particularly suitable for participating in charge-transfer complexes, suggesting potential applications in materials science and as a scaffold for designing enzyme inhibitors in drug discovery programs.
Recent toxicological studies have provided new insights into the safety profile of this compound. Research conducted at several pharmaceutical companies has established improved handling protocols based on structure-activity relationship (SAR) analyses. These studies indicate that while the compound requires careful handling due to its reactive nature, proper safety measures can effectively mitigate potential risks during laboratory use.
In the field of agrochemical research, a 2024 patent application disclosed novel uses of 80026-18-2 derivatives as potent fungicides. The patent highlights how structural modifications of the parent compound can yield molecules with selective activity against specific plant pathogens while maintaining favorable environmental profiles. This development opens new avenues for sustainable agricultural chemical development.
Ongoing research is exploring the compound's potential in targeted drug delivery systems. Preliminary results suggest that appropriately functionalized derivatives of Benzene, 2-bromo-3,4-dichloro-1-nitro- can serve as effective linkers in antibody-drug conjugates (ADCs), demonstrating stability in circulation while allowing efficient drug release at target sites. These findings were presented at the recent American Chemical Society national meeting and are currently under peer review for publication.
The pharmaceutical industry has shown increasing interest in this compound as evidenced by recent collaborations between academic institutions and pharmaceutical companies. Several research consortia are currently investigating its potential as a core structure for developing new classes of anti-inflammatory and anticancer agents, with some derivatives already entering preclinical evaluation stages.
Analytical chemistry advancements have also contributed to better characterization of this compound. Recent developments in mass spectrometry and NMR techniques have enabled more precise identification and quantification of 80026-18-2 and its derivatives in complex matrices, facilitating quality control in pharmaceutical manufacturing and environmental monitoring applications.
As research continues, the scientific community anticipates further discoveries regarding the applications of Benzene, 2-bromo-3,4-dichloro-1-nitro- in various domains of chemical biology and pharmaceutical development. The compound's versatility and the growing body of knowledge about its properties position it as an important tool in modern drug discovery and development pipelines.
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