Cas no 53811-44-2 (1-(chloromethyl)-2,4,5-trimethoxybenzene)
1-(chloromethyl)-2,4,5-trimethoxybenzene Chemical and Physical Properties
Names and Identifiers
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- 2,4,5-TRIMETHOXYBENZYL CHLORIDE
- 1-(Chloromethyl)-2,4,5-trimethoxybenzene
- benzene, 1-(chloromethyl)-2,4,5-trimethoxy-
- LogP
- 53811-44-2
- SCHEMBL1886751
- EN300-1982326
- AKOS000262129
- DB-292210
- 1-(chloromethyl)-2,4,5-trimethoxybenzene
-
- MDL: MFCD11156113
- Inchi: 1S/C10H13ClO3/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-5H,6H2,1-3H3
- InChI Key: HRHHCEKRWHSEJO-UHFFFAOYSA-N
- SMILES: ClCC1C=C(C(=CC=1OC)OC)OC
Computed Properties
- Exact Mass: 216.05539
- Monoisotopic Mass: 216.055
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 165
- 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: 2.4
- Topological Polar Surface Area: 27.7A^2
Experimental Properties
- Density: 1.146
- Boiling Point: 303.996°C at 760 mmHg
- Flash Point: 115.435°C
- Refractive Index: 1.505
- PSA: 27.69
1-(chloromethyl)-2,4,5-trimethoxybenzene Security Information
- Hazardous Material transportation number:3261
- HazardClass:8
- PackingGroup:III
1-(chloromethyl)-2,4,5-trimethoxybenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1982326-1g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 1g |
$414.0 | 2023-09-16 | ||
| Enamine | EN300-1982326-5g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 5g |
$1199.0 | 2023-09-16 | ||
| Enamine | EN300-1982326-10g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 10g |
$1778.0 | 2023-09-16 | ||
| Enamine | EN300-1982326-0.05g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 0.05g |
$348.0 | 2023-09-16 | ||
| Enamine | EN300-1982326-0.1g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 0.1g |
$364.0 | 2023-09-16 | ||
| Enamine | EN300-1982326-0.25g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 0.25g |
$381.0 | 2023-09-16 | ||
| Enamine | EN300-1982326-0.5g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 0.5g |
$397.0 | 2023-09-16 | ||
| Enamine | EN300-1982326-1.0g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 1g |
$785.0 | 2023-05-31 | ||
| Enamine | EN300-1982326-2.5g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 2.5g |
$810.0 | 2023-09-16 | ||
| Enamine | EN300-1982326-5.0g |
1-(chloromethyl)-2,4,5-trimethoxybenzene |
53811-44-2 | 5g |
$2277.0 | 2023-05-31 |
1-(chloromethyl)-2,4,5-trimethoxybenzene Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
Additional information on 1-(chloromethyl)-2,4,5-trimethoxybenzene
Comprehensive Overview of 1-(Chloromethyl)-2,4,5-trimethoxybenzene (CAS No. 53811-44-2)
1-(Chloromethyl)-2,4,5-trimethoxybenzene (CAS No. 53811-44-2) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and fine chemical applications. Its unique structural features, including the chloromethyl group and three methoxy substituents, make it a versatile building block for synthesizing complex molecules. Researchers and industries value this compound for its reactivity and adaptability in multistep organic synthesis, particularly in constructing heterocyclic frameworks.
In recent years, the demand for high-purity 1-(chloromethyl)-2,4,5-trimethoxybenzene has surged due to its role in developing bioactive compounds. A trending topic in scientific forums revolves around its application in green chemistry protocols, where solvent-free reactions and catalytic methods are explored to minimize environmental impact. This aligns with the global push toward sustainable chemical manufacturing, a frequently searched term in academic and industrial databases.
The compound’s CAS No. 53811-44-2 is often cross-referenced in patents related to drug discovery and material science. For instance, its derivatives have been investigated for potential use in photovoltaic materials, a hot topic given the rise of renewable energy technologies. Analytical techniques like HPLC and NMR are critical for quality control, as purity directly impacts downstream applications—a concern frequently raised in QA/QC discussions among chemists.
Another area of interest is the compound’s stability under varying storage conditions. Searches for "handling aromatic chloromethyl derivatives" have increased, reflecting user concerns about optimal temperature and humidity ranges. Best practices recommend inert atmospheres and moisture-resistant packaging to preserve its reactivity, a detail often highlighted in technical datasheets.
From a synthetic perspective, 1-(chloromethyl)-2,4,5-trimethoxybenzene serves as a precursor for functionalized aromatics. Its electrophilic character allows nucleophilic substitutions, enabling modifications tailored to target molecules. This flexibility is crucial for custom synthesis projects, a growing niche in contract research organizations (CROs).
In summary, CAS No. 53811-44-2 represents a critical intersection of innovation and practicality in modern chemistry. Its applications span life sciences, energy research, and industrial catalysis, making it a compound of enduring relevance. As industries prioritize efficiency and sustainability, this molecule’s role is poised to expand further.
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