Cas no 39153-73-6 (Benzene,2-chloro-1,3,4-trifluoro-)

Benzene,2-chloro-1,3,4-trifluoro- structure
39153-73-6 structure
Product Name:Benzene,2-chloro-1,3,4-trifluoro-
CAS No:39153-73-6
MF:C6H2ClF3
MW:166.528291225433
CID:319210
PubChem ID:142341
Update Time:2025-04-23

Benzene,2-chloro-1,3,4-trifluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzene,2-chloro-1,3,4-trifluoro-
    • 2-chloro-1,3,4-trifluorobenzene
    • Benzene, 2-chloro-1,3,4-trifluoro-
    • SCHEMBL2046247
    • 39153-73-6
    • 1-Chloro-2,3,6-trifluorobenzene
    • DTXSID80192396
    • MFCD13194466
    • 2,3,6-Trifluorochlorobenzene
    • Inchi: 1S/C6H2ClF3/c7-5-3(8)1-2-4(9)6(5)10/h1-2H
    • InChI Key: LAHJDOYPEPWPFT-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=C(C=1F)F)F

Computed Properties

  • Exact Mass: 165.97976
  • Monoisotopic Mass: 165.9797122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 120
  • 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: 2.9
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

Benzene,2-chloro-1,3,4-trifluoro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013026480-250mg
2,3,6-Trifluorochlorobenzene
39153-73-6 97%
250mg
$499.20 2023-09-02
Alichem
A013026480-500mg
2,3,6-Trifluorochlorobenzene
39153-73-6 97%
500mg
$782.40 2023-09-02
Alichem
A013026480-1g
2,3,6-Trifluorochlorobenzene
39153-73-6 97%
1g
$1475.10 2023-09-02
Aaron
AR00I8F8-250mg
Benzene, 2-chloro-1,3,4-trifluoro-
39153-73-6 95%
250mg
$500.00 2025-02-12
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1735077-1g
2-Chloro-1,3,4-trifluorobenzene
39153-73-6 98%
1g
¥2257.00 2024-05-15
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1735077-5g
2-Chloro-1,3,4-trifluorobenzene
39153-73-6 98%
5g
¥7549.00 2024-05-15
Aaron
AR00I8F8-1g
Benzene, 2-chloro-1,3,4-trifluoro-
39153-73-6 95%
1g
$800.00 2025-02-12
Aaron
AR00I8F8-5g
Benzene, 2-chloro-1,3,4-trifluoro-
39153-73-6
5g
$1105.00 2023-12-14

Additional information on Benzene,2-chloro-1,3,4-trifluoro-

Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6): A Comprehensive Overview in Modern Chemical Research

Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical and chemical research due to its unique structural and electronic properties. This compound, characterized by its chloro and trifluoro substituents on a benzene ring, exhibits distinct reactivity and potential applications in various synthetic pathways. The presence of fluorine atoms not only influences the electronic distribution across the molecule but also enhances its stability and lipophilicity, making it a valuable intermediate in the development of novel therapeutic agents.

The chemical structure of Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) can be described as a benzene ring substituted with two fluorine atoms at the 1 and 4 positions, and one chlorine atom at the 2 position. This arrangement results in a molecule with high electron-withdrawing effects, which can significantly alter the reactivity of the aromatic system. The trifluoromethyl group at the 1-position is particularly notable for its ability to enhance metabolic stability and binding affinity in drug-like molecules.

In recent years, Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) has been extensively studied for its potential applications in medicinal chemistry. The compound serves as a versatile building block for synthesizing more complex molecules with pharmaceutical relevance. Its ability to undergo various functional group transformations makes it an attractive candidate for drug discovery programs aimed at developing treatments for a wide range of diseases.

One of the most compelling aspects of Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) is its role in the synthesis of bioactive compounds. Researchers have leveraged its structural features to develop novel inhibitors targeting specific biological pathways. For instance, studies have shown that derivatives of this compound exhibit inhibitory activity against enzymes involved in cancer cell proliferation and inflammation. The fluorine atoms contribute to the molecule's ability to interact with biological targets by modulating hydrophobicity and electronic properties.

The synthesis of Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) typically involves multi-step organic reactions starting from commercially available precursors. Advanced synthetic methodologies have been employed to achieve high yields and purity levels necessary for pharmaceutical applications. Techniques such as palladium-catalyzed cross-coupling reactions and nucleophilic aromatic substitutions are commonly used to introduce the desired substituents onto the benzene ring.

The pharmacological profile of compounds derived from Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) has been explored in several preclinical studies. These investigations have highlighted its potential as a lead compound for further optimization into therapeutic agents. The compound's ability to cross the blood-brain barrier and interact with central nervous system receptors has opened up possibilities for treating neurological disorders.

Recent advancements in computational chemistry have enabled researchers to predict the behavior of Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) and its derivatives with greater accuracy. Molecular modeling studies have provided insights into how structural modifications can influence biological activity. This has accelerated the drug discovery process by allowing virtual screening of thousands of potential candidates before experimental synthesis.

The environmental impact of using Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) as an intermediate in pharmaceutical synthesis is also a subject of ongoing research. Efforts are being made to develop greener synthetic routes that minimize waste and reduce energy consumption. These sustainable practices are essential for ensuring that drug development remains environmentally responsible while maintaining high standards of efficacy and safety.

In conclusion, Benzene,2-chloro-1,3,4-trifluoro- (CAS No. 39153-73-6) represents a significant advancement in chemical research with broad applications in pharmaceuticals and materials science. Its unique structural features and reactivity make it a valuable tool for developing innovative therapies targeting various diseases. As research continues to uncover new possibilities for this compound

Recommended suppliers
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd