Cas no 1467-06-7 (1-(chloromethyl)-2-ethylbenzene)
1-(chloromethyl)-2-ethylbenzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(chloromethyl)-2-ethyl-
- 1-(chloromethyl)-2-ethylbenzene
- EINECS 248-148-7
- AKOS011703173
- 1467-06-7
- 1-chloromethyl-2-ethyl-benzene
- (Chloromethyl)ethylbenzene
- DB-146724
- EN300-1104802
- Benzene, 1-(chloromethyl)-2-ethyl
- SCHEMBL607259
- Toluene, alpha-chloro-ar-ethyl-
- NS00050013
-
- Inchi: 1S/C9H11Cl/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7H2,1H3
- InChI Key: IYRCFBNKBGBMIT-UHFFFAOYSA-N
- SMILES: ClCC1C=CC=CC=1CC
Computed Properties
- Exact Mass: 154.05503
- Monoisotopic Mass: 154.0549280g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 90.7
- 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: 0?2
Experimental Properties
- PSA: 0
1-(chloromethyl)-2-ethylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1104802-0.05g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 95% | 0.05g |
$468.0 | 2023-10-27 | |
| Enamine | EN300-1104802-0.1g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 95% | 0.1g |
$490.0 | 2023-10-27 | |
| Enamine | EN300-1104802-0.25g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 95% | 0.25g |
$513.0 | 2023-10-27 | |
| Enamine | EN300-1104802-0.5g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 95% | 0.5g |
$535.0 | 2023-10-27 | |
| Enamine | EN300-1104802-1.0g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 1g |
$743.0 | 2023-06-10 | ||
| Enamine | EN300-1104802-2.5g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 95% | 2.5g |
$1089.0 | 2023-10-27 | |
| Enamine | EN300-1104802-5.0g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 5g |
$2152.0 | 2023-06-10 | ||
| Enamine | EN300-1104802-10.0g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 10g |
$3191.0 | 2023-06-10 | ||
| Enamine | EN300-1104802-1g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 95% | 1g |
$557.0 | 2023-10-27 | |
| Enamine | EN300-1104802-5g |
1-(chloromethyl)-2-ethylbenzene |
1467-06-7 | 95% | 5g |
$1614.0 | 2023-10-27 |
1-(chloromethyl)-2-ethylbenzene Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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 1-(chloromethyl)-2-ethylbenzene
1-(Chloromethyl)-2-ethylbenzene (CAS No. 1467-06-7): Properties, Applications, and Market Insights
1-(Chloromethyl)-2-ethylbenzene (CAS No. 1467-06-7) is a specialized organic compound with significant industrial relevance. This chlorinated derivative of ethylbenzene is widely used in the synthesis of fine chemicals, pharmaceuticals, and agrochemical intermediates. The compound's molecular structure, featuring a chloromethyl group adjacent to an ethyl substituent on a benzene ring, gives it unique reactivity patterns that make it valuable for various chemical transformations.
The global market for 1-(chloromethyl)-2-ethylbenzene derivatives has shown steady growth, particularly in the pharmaceutical sector where it serves as a key building block for drug synthesis. Recent trends in green chemistry applications have increased interest in this compound as researchers explore more sustainable synthetic pathways. The compound's stability and reactivity balance make it particularly useful in catalyzed organic reactions, a hot topic in current chemical research.
From a chemical properties perspective, 1-(chloromethyl)-2-ethylbenzene exhibits typical aromatic characteristics combined with the reactivity of a benzylic chloride. This dual functionality allows it to participate in both electrophilic aromatic substitutions and nucleophilic substitution reactions. The ethyl group at the ortho position introduces interesting steric effects that influence the compound's reactivity, making it a subject of study in structure-activity relationship research.
In industrial applications, this compound finds use as an intermediate in the production of various specialty chemicals. The pharmaceutical industry utilizes it in the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring aromatic frameworks with specific substitution patterns. Recent patent literature reveals growing applications in material science, where derivatives of 1-(chloromethyl)-2-ethylbenzene are being explored for polymer modification and functional material development.
Safety and handling of CAS 1467-06-7 require standard organic chemical precautions. While not classified as highly hazardous, proper ventilation and personal protective equipment are recommended when working with this compound. The chemical's stability under normal conditions and compatibility with common organic solvents contribute to its widespread laboratory and industrial use.
From a synthetic chemistry viewpoint, 1-(chloromethyl)-2-ethylbenzene offers several advantages. Its benzylic chloride functionality is reactive toward nucleophiles, enabling the introduction of various substituents. The aromatic ring can undergo further functionalization, making this compound a versatile starting material. These properties align well with current research trends in multi-step organic synthesis and molecular diversity generation.
The commercial availability of 1-(chloromethyl)-2-ethylbenzene has improved in recent years, with several specialty chemical suppliers offering it in various purity grades. Pricing trends reflect the growing demand for such fine chemical intermediates in pharmaceutical and agrochemical applications. Quality specifications typically emphasize purity levels and the absence of specific impurities that might affect downstream reactions.
Environmental considerations for CAS 1467-06-7 follow standard protocols for chlorinated aromatic compounds. While not persistent in the environment, proper disposal methods should be followed. The chemical industry has shown increasing interest in developing greener synthetic routes to such intermediates, reflecting broader sustainability trends in chemical manufacturing.
Analytical characterization of 1-(chloromethyl)-2-ethylbenzene typically involves GC-MS, HPLC, and NMR techniques. These methods allow for precise quality control and verification of structural identity. Recent advances in analytical chemistry techniques have improved the detection and quantification of this compound in complex mixtures, supporting its use in sophisticated synthetic applications.
Future prospects for 1-(chloromethyl)-2-ethylbenzene appear promising, particularly in specialty chemical applications. The compound's versatility as a synthetic intermediate positions it well to meet the evolving needs of drug discovery and material innovation. As chemical synthesis becomes increasingly sophisticated, the demand for such precisely functionalized aromatic building blocks is expected to grow.
In conclusion, 1-(chloromethyl)-2-ethylbenzene (CAS No. 1467-06-7) represents an important intermediate in modern chemical synthesis. Its unique combination of aromatic and reactive chloromethyl functionality makes it valuable across multiple industries. Ongoing research into sustainable chemistry applications and advanced material development ensures this compound will remain relevant in the evolving landscape of chemical innovation.
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