Cas no 444-38-2 (2-Chloro-1,3,5-tris(trifluoromethyl)benzene)
2-Chloro-1,3,5-tris(trifluoromethyl)benzene Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-1,3,5-tris(trifluoromethyl)benzene
- 1-Chloro-2,4,6-tris(trifluoromethyl)benzene
- 1-Chloro-2,4,6-tris-(trifluoromethyl)benzene
- Benzene,2-chloro-1,3,5-tris(trifluoromethyl)-
- 2-Chlor-1,3,5-tris-trifluormethyl-benzol
- 2-chloro-1,3,5-tris-trifluoromethyl-benzene
- AmbscLK-60
- SCHEMBL1042850
- A826580
- OLWJWIMWBGMZJY-UHFFFAOYSA-N
- DTXSID40371549
- MFCD00474652
- 444-38-2
- AKOS015849912
- FT-0632137
- DB-019112
-
- MDL: MFCD00474652
- Inchi: 1S/C9H2ClF9/c10-6-4(8(14,15)16)1-3(7(11,12)13)2-5(6)9(17,18)19/h1-2H
- InChI Key: OLWJWIMWBGMZJY-UHFFFAOYSA-N
- SMILES: ClC1C(C(F)(F)F)=CC(C(F)(F)F)=CC=1C(F)(F)F
Computed Properties
- Exact Mass: 315.97000
- Monoisotopic Mass: 315.97
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 291
- 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: 5.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.567
- Boiling Point: 137.5°C at 760 mmHg
- Flash Point: 56.9°C
- Refractive Index: 1.373
- PSA: 0.00000
- LogP: 5.39640
2-Chloro-1,3,5-tris(trifluoromethyl)benzene Security Information
- Hazard Statement: Irritant
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Hazardous Material Identification:
2-Chloro-1,3,5-tris(trifluoromethyl)benzene Customs Data
- HS CODE:2903999090
- Customs Data:
China Customs Code:
2903999090Overview:
2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
2-Chloro-1,3,5-tris(trifluoromethyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019087401-5g |
2-Chloro-1,3,5-tris(trifluoromethyl)benzene |
444-38-2 | 95% | 5g |
$400.00 | 2023-09-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1799124-1g |
2-Chloro-1,3,5-tris(trifluoromethyl)benzene |
444-38-2 | 98% | 1g |
¥548.00 | 2024-05-13 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1799124-5g |
2-Chloro-1,3,5-tris(trifluoromethyl)benzene |
444-38-2 | 98% | 5g |
¥1612.00 | 2024-05-13 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1799124-10g |
2-Chloro-1,3,5-tris(trifluoromethyl)benzene |
444-38-2 | 98% | 10g |
¥3200.00 | 2024-05-13 | |
| Crysdot LLC | CD12071314-10g |
2-Chloro-1,3,5-tris(trifluoromethyl)benzene |
444-38-2 | 95+% | 10g |
$393 | 2024-07-24 |
2-Chloro-1,3,5-tris(trifluoromethyl)benzene Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
Additional information on 2-Chloro-1,3,5-tris(trifluoromethyl)benzene
Recent Advances in the Application of 2-Chloro-1,3,5-tris(trifluoromethyl)benzene (CAS: 444-38-2) in Chemical and Pharmaceutical Research
2-Chloro-1,3,5-tris(trifluoromethyl)benzene (CAS: 444-38-2) is a highly fluorinated aromatic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in pharmaceuticals, agrochemicals, and materials science. This research briefing synthesizes the latest findings on the synthesis, reactivity, and applications of this compound, with a focus on its role in drug discovery and development.
Recent studies have highlighted the utility of 2-Chloro-1,3,5-tris(trifluoromethyl)benzene as a versatile building block in organic synthesis. The presence of three trifluoromethyl groups and a chlorine atom on the benzene ring imparts electron-withdrawing effects, making it an excellent candidate for nucleophilic aromatic substitution reactions. Researchers have successfully employed this compound in the synthesis of complex molecules, including potential drug candidates with enhanced metabolic stability and bioavailability.
In pharmaceutical research, 2-Chloro-1,3,5-tris(trifluoromethyl)benzene has been investigated as a key intermediate in the development of novel antiviral and anticancer agents. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its incorporation into a series of protease inhibitors targeting SARS-CoV-2, showing promising in vitro activity. The trifluoromethyl groups were found to significantly improve the compounds' binding affinity to the viral protease while maintaining favorable pharmacokinetic properties.
From a synthetic chemistry perspective, recent advancements have focused on developing more efficient and sustainable methods for producing 2-Chloro-1,3,5-tris(trifluoromethyl)benzene. A breakthrough reported in ACS Catalysis (2023) described a novel catalytic system that enables the direct trifluoromethylation of chlorobenzene derivatives under mild conditions, potentially reducing the environmental impact of large-scale production.
The compound's unique electronic properties have also made it valuable in materials science applications. Research published in Advanced Materials (2023) explored its use as a dopant in organic semiconductors, where it was shown to enhance charge transport properties while maintaining excellent environmental stability. This opens new possibilities for developing high-performance electronic materials for flexible displays and wearable devices.
Despite these promising developments, challenges remain in the widespread application of 2-Chloro-1,3,5-tris(trifluoromethyl)benzene. Current research is addressing issues related to its environmental persistence and potential bioaccumulation, with several groups working on biodegradable derivatives and improved waste treatment methods. Regulatory agencies are closely monitoring these developments as the compound moves toward broader industrial applications.
Looking forward, the unique combination of chemical stability, reactivity, and biological activity makes 2-Chloro-1,3,5-tris(trifluoromethyl)benzene a compound of continuing interest across multiple disciplines. Ongoing research is expected to uncover additional applications in medicinal chemistry, particularly in the design of next-generation therapeutics for challenging disease targets. The compound's versatility ensures it will remain an important tool in the chemical and pharmaceutical researcher's toolkit for years to come.
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