Cas no 15393-58-5 (Ethyl 4-chloro-2-methylbenzoate)
Ethyl 4-chloro-2-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-chloro-2-methylbenzoate
- Benzoic acid, 4-chloro-2-methyl-, ethyl ester
- SCHEMBL5248889
- ethyl 5-chloro-o-toluate
- DTXSID901022933
- AKOS006319040
- DB-085689
- MFCD11554963
- 4-Chloro-2-methylbenzoic acid ethyl ester
- Ethyl4-chloro-2-methylbenzoate
- BS-50707
- 15393-58-5
- CS-0199327
- E78635
-
- MDL: MFCD11554963
- Inchi: 1S/C10H11ClO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3
- InChI Key: NLTONRXIPNPAGV-UHFFFAOYSA-N
- SMILES: ClC1C=CC(C(=O)OCC)=C(C)C=1
Computed Properties
- Exact Mass: 198.0447573g/mol
- Monoisotopic Mass: 198.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- 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: 3.1
- Topological Polar Surface Area: 26.3?2
Ethyl 4-chloro-2-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019095877-5g |
Ethyl 4-chloro-2-methylbenzoate |
15393-58-5 | 95% | 5g |
400.00 USD | 2021-05-31 | |
| eNovation Chemicals LLC | Y1265450-5g |
Benzoic acid, 4-chloro-2-methyl-, ethyl ester |
15393-58-5 | 98% | 5g |
$55 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1265450-25g |
Benzoic acid, 4-chloro-2-methyl-, ethyl ester |
15393-58-5 | 98% | 25g |
$75 | 2024-06-06 | |
| A2B Chem LLC | AI37259-250mg |
Ethyl 4-chloro-2-methylbenzoate |
15393-58-5 | 99% | 250mg |
$70.00 | 2024-04-20 | |
| Crysdot LLC | CD12138531-10g |
Ethyl 4-chloro-2-methylbenzoate |
15393-58-5 | 95+% | 10g |
$476 | 2024-07-23 | |
| abcr | AB570487-5g |
4-Chloro-2-methylbenzoic acid ethyl ester, 97%; . |
15393-58-5 | 97% | 5g |
€236.80 | 2024-08-02 | |
| abcr | AB570487-25g |
4-Chloro-2-methylbenzoic acid ethyl ester, 97%; . |
15393-58-5 | 97% | 25g |
€272.60 | 2024-08-02 | |
| abcr | AB570487-100g |
4-Chloro-2-methylbenzoic acid ethyl ester, 97%; . |
15393-58-5 | 97% | 100g |
€315.80 | 2024-08-02 | |
| A2B Chem LLC | AI37259-5g |
Ethyl 4-chloro-2-methylbenzoate |
15393-58-5 | 98+% | 5g |
$85.00 | 2024-04-20 | |
| A2B Chem LLC | AI37259-25g |
Ethyl 4-chloro-2-methylbenzoate |
15393-58-5 | 98+% | 25g |
$103.00 | 2024-04-20 |
Ethyl 4-chloro-2-methylbenzoate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on Ethyl 4-chloro-2-methylbenzoate
Comprehensive Overview of Ethyl 4-chloro-2-methylbenzoate (CAS No. 15393-58-5): Properties, Applications, and Industry Insights
Ethyl 4-chloro-2-methylbenzoate (CAS No. 15393-58-5) is a specialized organic compound widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and fragrance industries. This ester derivative, characterized by its chloro and methyl functional groups, exhibits unique chemical properties that make it valuable for synthetic processes. With the growing demand for fine chemicals and intermediates, this compound has garnered significant attention from researchers and manufacturers alike.
The molecular structure of Ethyl 4-chloro-2-methylbenzoate combines a benzoate backbone with an ethyl ester group, enhancing its solubility in organic solvents. Its CAS No. 15393-58-5 serves as a critical identifier in regulatory documentation and safety data sheets. Recent studies highlight its role as a key intermediate in the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs) and crop protection agents, aligning with the global trend toward sustainable and efficient chemical production.
In the pharmaceutical sector, Ethyl 4-chloro-2-methylbenzoate is often utilized to develop active pharmaceutical ingredients (APIs). Its chloro-substituted aromatic ring provides a reactive site for further modifications, enabling the creation of targeted therapeutics. Industry reports suggest a rising interest in green chemistry approaches to synthesize such compounds, reducing environmental impact while maintaining high yields—a topic frequently searched in AI-driven chemical research platforms.
From an agrochemical perspective, this compound contributes to the formulation of herbicides and pesticides. Its stability under varying pH conditions makes it suitable for field applications. Notably, the 4-chloro-2-methyl substitution pattern is associated with enhanced bioactivity, a feature explored in patents and high-throughput screening studies. As precision agriculture gains traction, demand for such tailored molecules is projected to grow.
The fragrance industry also leverages Ethyl 4-chloro-2-methylbenzoate for its mild, woody aroma profile. Perfumers value its ability to act as a fixative, prolonging the longevity of scent compositions. With consumers increasingly seeking long-lasting perfumes and natural-inspired synthetics, this compound aligns with market trends.
Analytical techniques like GC-MS and HPLC are commonly employed to verify the purity of CAS No. 15393-58-5. Regulatory bodies such as the EPA and REACH provide guidelines for its safe handling, emphasizing the importance of material safety data sheets (MSDS). Researchers often query "solubility of Ethyl 4-chloro-2-methylbenzoate" or "synthetic routes for 15393-58-5"—reflecting the compound's technical relevance.
Innovations in catalytic esterification have streamlined the production of Ethyl 4-chloro-2-methylbenzoate, reducing energy consumption. A 2023 study published in the Journal of Organic Chemistry highlighted a novel microwave-assisted synthesis method, which improved yield by 15% compared to conventional methods—a breakthrough frequently cited in AI-curated research summaries.
In conclusion, Ethyl 4-chloro-2-methylbenzoate (CAS No. 15393-58-5) exemplifies the intersection of chemistry and industrial innovation. Its multifaceted applications, coupled with advancements in sustainable synthesis, position it as a compound of enduring significance. For those exploring chemical intermediates or specialty esters, this molecule offers a compelling case study in functionality and adaptability.
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