Cas no 2367-77-3 (2,3,5-Trifluorochlorobenzene)

2,3,5-Trifluorochlorobenzene is a fluorinated aromatic compound characterized by the presence of three fluorine atoms and one chlorine atom on the benzene ring. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The fluorine substituents enhance metabolic stability and lipophilicity, while the chlorine atom provides a reactive site for further functionalization. Its high purity and well-defined regiochemistry ensure consistent performance in cross-coupling reactions and nucleophilic substitutions. The compound is particularly useful in the development of advanced materials and active ingredients, where precise halogen positioning is critical for desired reactivity and selectivity.
2,3,5-Trifluorochlorobenzene structure
2,3,5-Trifluorochlorobenzene structure
Product Name:2,3,5-Trifluorochlorobenzene
CAS No:2367-77-3
MF:C6H2ClF3
MW:166.528291225433
MDL:MFCD00070763
CID:250835
PubChem ID:2779254
Update Time:2025-06-08

2,3,5-Trifluorochlorobenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-chloro-2,3,5-trifluoro-
    • 1-CHLORO-2,3,5-TRIBROMOBENZENE
    • 1-Chlor-2,3,5-trifluor-benzol
    • 1-chloro-2,3,5-trifluorobenzene
    • 1-chloro-3,5,6-trifluorobenzene
    • 2,3,5-Trifluorochlorobenzene
    • 2-Chlor-1,4,6-trifluorbenzol
    • 3-chloro-1,2,5-trifluorobenzene
    • Chlor-2,3,5-trifluorbenzol
    • Benzene, 1-chloro-2,3,5-trifluoro-
    • 1-chloro-2, 3, 5-trifluorobenzene
    • SCHEMBL2938245
    • CS-0450014
    • AKOS025117074
    • DTXSID401303348
    • 2367-77-3
    • MFCD00070763
    • MDL: MFCD00070763
    • Inchi: 1S/C6H2ClF3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
    • InChI Key: DDJWCEIHPFJKRI-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(C=1F)F)F

Computed Properties

  • Exact Mass: 345.74000
  • Monoisotopic Mass: 165.9797122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • 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: 0.00000
  • LogP: 4.62750

2,3,5-Trifluorochlorobenzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    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%

2,3,5-Trifluorochlorobenzene Pricemore >>

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abcr
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Additional information on 2,3,5-Trifluorochlorobenzene

Introduction to 2,3,5-Trifluorochlorobenzene (CAS No. 2367-77-3)

2,3,5-Trifluorochlorobenzene, identified by the Chemical Abstracts Service Number (CAS No.) 2367-77-3, is a fluorinated aromatic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of halogenated benzenes, characterized by the presence of three fluorine atoms and one chlorine atom substituents on a benzene ring. The unique arrangement of these halogen atoms imparts distinct chemical properties, making it a valuable intermediate in the synthesis of various agrochemicals, pharmaceuticals, and specialty chemicals.

The structural motif of 2,3,5-Trifluorochlorobenzene consists of a benzene core substituted with three fluorine atoms at the 2-, 3-, and 5-positions, along with a chlorine atom at one of these positions. This specific substitution pattern enhances its reactivity and stability under various chemical conditions, facilitating its use in multiple synthetic pathways. The presence of fluorine atoms not only influences the electronic properties of the molecule but also contributes to its lipophilicity and metabolic stability, which are critical factors in drug design.

In recent years, 2,3,5-Trifluorochlorobenzene has been extensively studied for its potential applications in medicinal chemistry. Researchers have explored its utility as a building block in the synthesis of active pharmaceutical ingredients (APIs) due to its ability to undergo selective functionalization at various positions on the aromatic ring. For instance, studies have demonstrated its role in constructing complex heterocyclic compounds that exhibit significant biological activity. The compound’s ability to serve as a precursor for more intricate molecules has made it a focal point in efforts to develop novel therapeutic agents.

One of the most compelling aspects of 2,3,5-Trifluorochlorobenzene is its incorporation into drugs targeting various diseases. Researchers have leveraged its structural features to design molecules with enhanced binding affinity and improved pharmacokinetic profiles. For example, derivatives of 2,3,5-Trifluorochlorobenzene have been investigated for their potential in treating neurological disorders, where fluorinated aromatic compounds are known to exhibit promising effects due to their ability to cross the blood-brain barrier efficiently.

The pharmaceutical industry has also utilized 2,3,5-Trifluorochlorobenzene in the development of antiviral and anticancer agents. The fluorine atoms contribute to the stability of these drugs against metabolic degradation, thereby prolonging their therapeutic efficacy. Additionally, the chlorine substituent provides a handle for further chemical modifications, allowing chemists to fine-tune the properties of the final drug product. These attributes have positioned 2,3,5-Trifluorochlorobenzene as a cornerstone in modern drug discovery and development.

Beyond pharmaceutical applications, 2,3,5-Trifluorochlorobenzene finds utility in agrochemical research. Its derivatives have been explored as intermediates in the synthesis of pesticides and herbicides due to their ability to interact selectively with biological targets in pests while minimizing environmental impact. The compound’s unique electronic properties enable it to disrupt metabolic pathways in unwanted organisms without harming beneficial flora or fauna.

The synthesis of 2,3,5-Trifluorochlorobenzene typically involves multi-step organic reactions that require precise control over reaction conditions. Common methods include halogenation reactions on pre-existing aromatic compounds followed by selective fluorination. Advances in catalytic systems have enabled more efficient and sustainable routes to this compound, reducing waste and improving yields. These innovations underscore the importance of continuous research into synthetic methodologies for halogenated aromatics like 2,3,5-Trifluorochlorobenzene.

Recent studies have highlighted the role of computational chemistry in optimizing synthetic routes for complex molecules such as 2,3,5-Trifluorochlorobenzene. Molecular modeling techniques allow researchers to predict reaction outcomes with high accuracy before conducting experimental trials. This approach not only saves time but also minimizes resource consumption by identifying the most efficient synthetic pathways early in the process.

The environmental impact of producing and utilizing 2,3,5-Trifluorochlorobenzene is another critical consideration. Efforts are underway to develop greener synthetic methods that reduce reliance on hazardous reagents and solvents. Additionally, researchers are exploring ways to recycle byproducts from its synthesis into useful materials, thereby enhancing sustainability throughout the chemical supply chain.

In conclusion, 2,3,5-Trifluorochlorobenzene (CAS No.2367-77-3) is a versatile compound with far-reaching applications across multiple industries.Its unique structural features make it an invaluable intermediate for synthesizing drugs, agrochemicals, and specialty chemicals.As research continues to uncover new uses for this molecule, its importance in modern chemistry is only set to grow.The ongoing development of innovative synthetic methods and sustainable practices further ensures that 2,3,5-Trifluorochlorobenzene will remain at forefront of chemical innovation for years to come.

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