Cas no 151276-09-4 (Benzene,1,2-dichloro-3-(trifluoromethoxy)-)

Benzene,1,2-dichloro-3-(trifluoromethoxy)- is a halogenated aromatic compound featuring both chloro and trifluoromethoxy substituents. Its unique structure imparts chemical stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The presence of electron-withdrawing groups enhances its utility in electrophilic substitution reactions, while the trifluoromethoxy moiety contributes to lipophilicity, improving bioavailability in bioactive molecules. This compound is typically handled under controlled conditions due to its potential toxicity. Its high purity and well-defined reactivity profile make it a preferred choice for specialized applications in fine chemical manufacturing and research.
Benzene,1,2-dichloro-3-(trifluoromethoxy)- structure
151276-09-4 structure
Product Name:Benzene,1,2-dichloro-3-(trifluoromethoxy)-
CAS No:151276-09-4
MF:C7H3Cl2F3O
MW:230.999330759048
MDL:MFCD04972793
CID:99601
PubChem ID:18938542
Update Time:2025-10-23

Benzene,1,2-dichloro-3-(trifluoromethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2-dichloro-3-(trifluoromethoxy)-
    • 1,2-DICHLORO-3-(TRIFLUOROMETHOXY)BENZENE
    • 1,2-DICHLORO-3-TRIFLUOROMETHOXY-BENZENE
    • SCHEMBL8653715
    • 151276-09-4
    • MFCD04972793
    • ZGSFEMSBYALHSN-UHFFFAOYSA-N
    • MDL: MFCD04972793
    • Inchi: 1S/C7H3Cl2F3O/c8-4-2-1-3-5(6(4)9)13-7(10,11)12/h1-3H
    • InChI Key: ZGSFEMSBYALHSN-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=CC=1OC(F)(F)F)Cl

Computed Properties

  • Exact Mass: 229.95100
  • Monoisotopic Mass: 229.951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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
  • Topological Polar Surface Area: 9.2A^2
  • XLogP3: 4.4

Experimental Properties

  • PSA: 9.23000
  • LogP: 3.89200

Benzene,1,2-dichloro-3-(trifluoromethoxy)- Security Information

Benzene,1,2-dichloro-3-(trifluoromethoxy)- Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Additional information on Benzene,1,2-dichloro-3-(trifluoromethoxy)-

Introduction to 1,2-Dichloro-3-(Trifluoromethoxy)Benzene

The compound 1,2-dichloro-3-(trifluoromethoxy)benzene (CAS No. 151276-09-4) is a highly specialized aromatic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a benzene ring substituted with two chlorine atoms at the 1 and 2 positions and a trifluoromethoxy group at the 3 position. The trifluoromethoxy group (-OCF3) is a strong electron-withdrawing substituent, which imparts distinct electronic and steric properties to the molecule. These properties make 1,2-dichloro-3-(trifluoromethoxy)benzene an interesting subject for both academic research and industrial applications.

Recent studies have highlighted the potential of 1,2-dichloro-3-(trifluoromethoxy)benzene in the development of advanced materials, particularly in the field of organic electronics. The compound's ability to act as a high-performance electron acceptor has been explored in the context of organic photovoltaic (OPV) devices. Researchers have demonstrated that incorporating this compound into OPV architectures can significantly enhance device efficiency by improving charge separation and transport properties. This advancement underscores the importance of understanding the electronic properties of such compounds in designing next-generation electronic materials.

In addition to its role in electronics, 1,2-dichloro-3-(trifluoromethoxy)benzene has also been investigated for its potential in pharmaceutical applications. The trifluoromethoxy group is known to enhance metabolic stability and bioavailability in drug molecules, making this compound a valuable building block in medicinal chemistry. Recent studies have focused on its use as a precursor for synthesizing bioactive compounds with improved pharmacokinetic profiles. For instance, derivatives of this compound have shown promise as inhibitors of certain enzyme targets associated with cancer and inflammatory diseases.

The synthesis of 1,2-dichloro-3-(trifluoromethoxy)benzene typically involves multi-step organic reactions, including nucleophilic substitution and electrophilic aromatic substitution. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound. For example, the use of palladium-catalyzed cross-coupling reactions has been reported to facilitate the construction of the trifluoromethoxy-substituted benzene ring with high yields and purity. These developments not only enhance the scalability of production but also contribute to the sustainability of chemical processes.

From an environmental perspective, the stability and persistence of 1,2-dichloro-3-(trifluoromethoxy)benzene in various media are critical considerations for its safe handling and disposal. Recent research has explored the biodegradation pathways of this compound under different environmental conditions. Findings suggest that while it exhibits resistance to microbial degradation under aerobic conditions, specific anaerobic conditions can lead to partial transformation into less harmful byproducts. These insights are essential for developing strategies to mitigate potential environmental impacts associated with its use.

In conclusion, 1,2-dichloro-3-(trifluoromethoxy)benzene (CAS No. 151276-09-4) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties continue to inspire innovative research directions, particularly in the realms of organic electronics and pharmaceutical chemistry. As advancements in synthetic methodologies and material characterization techniques unfold, this compound is poised to play an even more significant role in shaping future technologies and therapeutic interventions.

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