Cas no 1134820-66-8 (3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride)
3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride Chemical and Physical Properties
Names and Identifiers
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- 3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride
- SCHEMBL1971196
- A836487
- 3-chloranyl-5-(trifluoromethyl)aniline hydrochloride
- 3-chloro-5-(trifluoromethyl)aniline hydrochloride
- AJPYZXXRNGJZGW-UHFFFAOYSA-N
- 3-chloro-5-(trifluoromethyl)aniline;hydrochloride
- 1134820-66-8
-
- Inchi: 1S/C7H5ClF3N.ClH/c8-5-1-4(7(9,10)11)2-6(12)3-5;/h1-3H,12H2;1H
- InChI Key: AJPYZXXRNGJZGW-UHFFFAOYSA-N
- SMILES: ClC1C=C(C=C(C(F)(F)F)C=1)N.Cl
Computed Properties
- Exact Mass: 230.9829391Da
- Monoisotopic Mass: 230.9829391Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 159
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26?2
3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A633645-1mg |
3-Amino-5-trifluoromethyl-1-chlorobenzene Hydrochloride |
1134820-66-8 | 1mg |
$ 50.00 | 2022-06-07 | ||
| TRC | A633645-2mg |
3-Amino-5-trifluoromethyl-1-chlorobenzene Hydrochloride |
1134820-66-8 | 2mg |
$ 65.00 | 2022-06-07 | ||
| TRC | A633645-10mg |
3-Amino-5-trifluoromethyl-1-chlorobenzene Hydrochloride |
1134820-66-8 | 10mg |
$ 160.00 | 2022-06-07 |
3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
Additional information on 3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride
3-Amino-5-trifluoromethyl-1-chlorobenzene Hydrochloride (CAS No. 1134820-66-8): A Comprehensive Overview
3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride (CAS No. 1134820-66-8) is a specialized organic compound with significant applications in pharmaceutical and agrochemical research. This compound, featuring both amino and trifluoromethyl functional groups, is widely recognized for its unique chemical properties and versatility in synthetic chemistry. Its molecular formula is C7H6ClF3N·HCl, and it is often utilized as a key intermediate in the development of novel bioactive molecules.
The 3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride structure combines a benzene ring substituted with chlorine, an amino group, and a trifluoromethyl group, making it a valuable building block in medicinal chemistry. Researchers frequently explore its potential in designing drug candidates due to the electron-withdrawing effects of the trifluoromethyl group, which can enhance binding affinity and metabolic stability. Additionally, its hydrochloride salt form improves solubility, facilitating its use in various reaction conditions.
In recent years, the demand for fluorinated compounds like 3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride has surged, driven by their prominence in pharmaceutical intermediates and agrochemical formulations. The trifluoromethyl group, in particular, is a hotspot in drug discovery, as it often improves the pharmacokinetic properties of molecules. This aligns with current trends in the industry, where researchers seek fluorine-containing building blocks to optimize drug efficacy and reduce side effects.
From a synthetic perspective, 3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride serves as a precursor in the preparation of heterocyclic compounds, which are prevalent in many FDA-approved drugs. Its reactivity allows for further functionalization, enabling chemists to create diverse molecular architectures. This adaptability makes it a sought-after reagent in both academic and industrial laboratories.
The compound’s role extends beyond pharmaceuticals. In material science, derivatives of 3-Amino-5-trifluoromethyl-1-chlorobenzene have been investigated for their potential in creating advanced polymers and coatings with enhanced durability and chemical resistance. The incorporation of fluorine atoms often leads to materials with superior thermal and oxidative stability, addressing growing needs in high-performance applications.
Market insights indicate a steady rise in the procurement of 3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride, particularly from contract research organizations (CROs) and custom synthesis providers. As the pharmaceutical industry continues to prioritize precision medicine and targeted therapies, the demand for specialized intermediates like this compound is expected to grow further.
For researchers and procurement specialists, understanding the storage and handling of 3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride is crucial. While it is not classified as hazardous under standard regulations, proper storage in a cool, dry environment is recommended to maintain its stability. Suppliers typically provide detailed technical data sheets (TDS) and certificates of analysis (CoA) to ensure safe and effective usage.
In summary, 3-Amino-5-trifluoromethyl-1-chlorobenzene hydrochloride (CAS No. 1134820-66-8) is a multifaceted compound with broad applications in drug discovery, agrochemicals, and material science. Its unique structural features and reactivity make it indispensable in modern synthetic chemistry. As innovation in fluorine chemistry advances, this compound is poised to remain a critical tool for researchers worldwide.
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