Cas no 1261922-18-2 (Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate)
Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate
- 2-CHLORO-4-(4-CHLORO-3-METHOXYCARBONYLPHENYL)PHENOL
- Methyl 3',4-dichloro-4'-hydroxy[1,1'-biphenyl]-3-carboxylate
- DTXSID50686176
- MFCD18315802
- 1261922-18-2
- 2-Chloro-4-(4-chloro-3-methoxycarbonylphenyl)phenol, 95%
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- MDL: MFCD18315802
- Inchi: 1S/C14H10Cl2O3/c1-19-14(18)10-6-8(2-4-11(10)15)9-3-5-13(17)12(16)7-9/h2-7,17H,1H3
- InChI Key: MTHDREYWMZTMBS-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1C(=O)OC)C1C=CC(=C(C=1)Cl)O
Computed Properties
- Exact Mass: 296.001
- Monoisotopic Mass: 296.001
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 324
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 4.3
Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB322008-5 g |
2-Chloro-4-(4-chloro-3-methoxycarbonylphenyl)phenol, 95%; . |
1261922-18-2 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB322008-5g |
2-Chloro-4-(4-chloro-3-methoxycarbonylphenyl)phenol, 95%; . |
1261922-18-2 | 95% | 5g |
€1159.00 | 2025-04-21 |
Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate Suppliers
Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Additional information on Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate
Comprehensive Overview of Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate (CAS No. 1261922-18-2)
Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate (CAS No. 1261922-18-2) is a specialized organic compound widely recognized for its unique structural properties and potential applications in pharmaceutical and agrochemical research. This ester derivative, featuring a chlorinated and hydroxylated aromatic ring system, has garnered significant attention due to its versatility in synthetic chemistry. Researchers and industry professionals frequently search for terms like "synthesis of Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate" or "CAS 1261922-18-2 applications," reflecting its growing relevance in advanced material science.
The compound's molecular structure combines a benzoate ester core with strategically placed chloro and hydroxy functional groups, enhancing its reactivity and binding affinity. Such characteristics make it a valuable intermediate in designing bioactive molecules. Recent trends highlight its exploration in "green chemistry" and "sustainable synthesis," aligning with global efforts to reduce environmental impact. Questions like "How is Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate used in drug discovery?" are increasingly common, underscoring its role in modern R&D.
From a technical perspective, CAS 1261922-18-2 exhibits notable stability under controlled conditions, making it suitable for multi-step synthetic pathways. Its chlorophenyl moiety is particularly significant for modifying electronic properties in molecular design. Analytical techniques such as HPLC and NMR are routinely employed to characterize its purity, a topic often queried as "analytical methods for Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate." The compound's compatibility with cross-coupling reactions further expands its utility in creating complex architectures.
In the context of industrial applications, Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate is often discussed alongside "high-value chemical intermediates" and "custom synthesis." Its potential in developing crop protection agents or pharmaceutical precursors aligns with current demands for innovation in these sectors. Searches for "suppliers of CAS 1261922-18-2" or "technical specifications" reflect its commercial importance.
Safety and handling protocols for this compound emphasize standard laboratory practices, avoiding risks associated with reactive groups. Environmental considerations, such as "biodegradability of chlorinated aromatics," are also part of ongoing discussions. As regulatory frameworks evolve, compliance with REACH and other global standards remains critical for its sustainable use.
Future research directions may explore its role in "catalysis" or "material science," leveraging its structural features for novel applications. The integration of computational chemistry tools to predict its behavior in complex systems is another emerging area of interest. For those seeking deeper insights, resources on "structure-activity relationships of halogenated benzoates" provide valuable context.
In summary, Methyl 2-chloro-5-(3-chloro-4-hydroxyphenyl)benzoate (CAS No. 1261922-18-2) represents a compelling case study in functionalized aromatic chemistry. Its multifaceted applications and alignment with contemporary scientific priorities ensure its continued prominence in both academic and industrial settings.
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