Cas no 877149-06-9 (4-bromo-2-chloro-6-methyl-benzonitrile)
4-bromo-2-chloro-6-methyl-benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-2-chloro-6-methyl-benzonitrile
- 4-Bromo-2-chloro-6-methylbenzonitrile
- CS-0377869
- 877149-06-9
- AT34732
- DB-340104
- YVQWFIMVHUBWJE-UHFFFAOYSA-N
- SCHEMBL1629437
- DTXSID501286694
- MFCD19686178
-
- MDL: MFCD19686178
- Inchi: 1S/C8H5BrClN/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
- InChI Key: YVQWFIMVHUBWJE-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(C#N)=C(C)C=1)Cl
Computed Properties
- Exact Mass: 228.92939g/mol
- Monoisotopic Mass: 228.92939g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 186
- 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: 3.3
- Topological Polar Surface Area: 23.8?2
4-bromo-2-chloro-6-methyl-benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019094620-5g |
4-Bromo-2-chloro-6-methylbenzonitrile |
877149-06-9 | 95% | 5g |
$1973.70 | 2023-08-31 | |
| Aaron | AR00IFFL-250mg |
4-Bromo-2-chloro-6-methylbenzonitrile |
877149-06-9 | 95% | 250mg |
$944.00 | 2025-02-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1448539-1g |
4-Bromo-2-chloro-6-methylbenzonitrile |
877149-06-9 | 95+% | 1g |
¥6675.00 | 2024-04-27 | |
| 1PlusChem | 1P00IF79-50mg |
4-Bromo-2-chloro-6-methylbenzonitrile |
877149-06-9 | 95% | 50mg |
$283.00 | 2024-04-20 | |
| 1PlusChem | 1P00IF79-100mg |
4-Bromo-2-chloro-6-methylbenzonitrile |
877149-06-9 | 95% | 100mg |
$495.00 | 2024-04-20 | |
| 1PlusChem | 1P00IF79-250mg |
4-Bromo-2-chloro-6-methylbenzonitrile |
877149-06-9 | 95% | 250mg |
$839.00 | 2024-04-20 | |
| abcr | AB603544-250mg |
4-Bromo-2-chloro-6-methylbenzonitrile; . |
877149-06-9 | 250mg |
€412.20 | 2025-04-15 | ||
| abcr | AB603544-500mg |
4-Bromo-2-chloro-6-methylbenzonitrile; . |
877149-06-9 | 500mg |
€567.00 | 2025-04-15 | ||
| abcr | AB603544-1g |
4-Bromo-2-chloro-6-methylbenzonitrile; . |
877149-06-9 | 1g |
€772.30 | 2025-04-15 | ||
| abcr | AB603544-5g |
4-Bromo-2-chloro-6-methylbenzonitrile; . |
877149-06-9 | 5g |
€2497.60 | 2024-07-19 |
4-bromo-2-chloro-6-methyl-benzonitrile Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
Additional information on 4-bromo-2-chloro-6-methyl-benzonitrile
Comprehensive Analysis of 4-Bromo-2-Chloro-6-Methylbenzonitrile (CAS No. 877149-06-9): Properties, Applications, and Industry Trends
4-Bromo-2-chloro-6-methylbenzonitrile (CAS 877149-06-9) is a halogenated aromatic compound gaining attention in pharmaceutical and agrochemical research due to its versatile molecular structure. As a derivative of benzonitrile, this compound features a bromine substitution at the 4-position, a chlorine at the 2-position, and a methyl group at the 6-position, making it a valuable intermediate in synthetic chemistry. Recent studies highlight its role in developing crop protection agents and pharmaceutical precursors, aligning with the growing demand for sustainable agrochemicals and precision medicine.
The compound’s physicochemical properties—including a molecular weight of 230.5 g/mol and moderate lipophilicity—make it suitable for cross-coupling reactions like Suzuki-Miyaura and Buchwald-Hartwig couplings. Researchers frequently search for "4-bromo-2-chloro-6-methylbenzonitrile synthesis" or "CAS 877149-06-9 applications," reflecting its relevance in drug discovery pipelines. Notably, its nitrile group offers functionalization potential, enabling transformations into amides, carboxylic acids, or heterocycles, which are critical in designing bioactive molecules.
Industry trends show rising interest in halogenated benzonitriles due to their efficacy in pest control formulations and herbicide development. With the global agrochemical market projected to exceed $300 billion by 2030, compounds like 4-bromo-2-chloro-6-methylbenzonitrile are pivotal in creating next-generation solutions resistant to environmental degradation. Additionally, its role in OLED materials and liquid crystal displays (LCDs) is under exploration, addressing the surge in demand for high-performance electronic materials.
From a regulatory perspective, CAS 877149-06-9 complies with major chemical inventories like TSCA and EINECS, ensuring its accessibility for industrial use. Analytical methods such as HPLC and GC-MS are commonly employed for purity verification, with suppliers emphasizing "high-purity 4-bromo-2-chloro-6-methylbenzonitrile" to meet stringent research standards. Environmental concerns have also spurred studies on its biodegradation pathways, aligning with the EU’s Green Chemistry Initiative.
In conclusion, 4-bromo-2-chloro-6-methylbenzonitrile exemplifies the intersection of innovation and practicality in modern chemistry. Its multifaceted applications—from crop science to material engineering—coupled with rigorous safety profiles, position it as a compound of enduring significance in scientific and industrial advancements.
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