Cas no 1644-88-8 (2-(Trifluoromethoxy)nitrobenzene)

2-(Trifluoromethoxy)nitrobenzene is a fluorinated aromatic compound characterized by the presence of a nitro group and a trifluoromethoxy substituent on the benzene ring. This structure imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The trifluoromethoxy group enhances lipophilicity and metabolic stability, while the nitro group serves as a versatile functional handle for further chemical transformations. Its high purity and well-defined reactivity profile ensure consistent performance in coupling reactions, reductions, and other synthetic applications. The compound is typically handled under standard laboratory conditions, with attention to appropriate safety measures due to its nitroaromatic nature.
2-(Trifluoromethoxy)nitrobenzene structure
1644-88-8 structure
Product Name:2-(Trifluoromethoxy)nitrobenzene
CAS No:1644-88-8
MF:C7H4F3NO3
MW:207.106772422791
MDL:MFCD00041010
CID:41730
PubChem ID:12513085
Update Time:2025-05-21

2-(Trifluoromethoxy)nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Nitro-2-(trifluoromethoxy)benzene
    • 2-NITRO TRIFLUOROMETHOXY BENZENE
    • 2-(Trifluoromethoxy)
    • 2-(Trifluoromethoxy)nitrobenzene
    • Anisole, a,a,a-trifluoro-o-nitro- (6CI,7CI,8CI)
    • α,α,α-trifluoro-o-nitroanisole
    • 2-(TrifluoroMrthoxy)nitrobebzene
    • 1-Nitro-2-[(trifluoroMethyl)oxy]benzene
    • 2-Nitro-alpha,alpha,alpha-trifluoroanisole, 2-Nitrophenyl trifluoromethyl ether
    • O-nitrotrifluoromethoxybenzene
    • Benzene, 1-nitro-2-(trifluoromethoxy)-
    • 2-Nitrophenyl trifluoromethyl ether
    • PubChem4623
    • trifluoromethoxynitrobenzene
    • KSC497G9H
    • 2-trifluoromethoxy-nitrobenzene
    • YTWBYJAWWKTPOV-UHFFFAOYSA-N
    • SBB063444
    • PC1348
    • VZ23348
    • TRA007
    • J-505028
    • AKOS005145715
    • A3651
    • AS-17677
    • FT-0633731
    • AC-9726
    • SCHEMBL6112961
    • AM20080591
    • SY019044
    • DTXSID30500942
    • 1644-88-8
    • MFCD00041010
    • CS-W015277
    • 1-Nitro-2-(trifluoromethoxy)benzene; alpha,alpha,alpha-trifluoro-o-nitroanisole; 1-Nitro-2-[(trifluoromethyl)oxy]benzene;
    • DTXCID20451752
    • MDL: MFCD00041010
    • Inchi: 1S/C7H4F3NO3/c8-7(9,10)14-6-4-2-1-3-5(6)11(12)13/h1-4H
    • InChI Key: YTWBYJAWWKTPOV-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC=CC=1[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 207.01400
  • Monoisotopic Mass: 207.01432748g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 213
  • 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: 55

Experimental Properties

  • Density: 1.461 g/cm3
  • Boiling Point: 208.4℃/760mmHg
  • Flash Point: 79.8 °C
  • Refractive Index: 1.4595
  • PSA: 55.05000
  • LogP: 3.01660

2-(Trifluoromethoxy)nitrobenzene Security Information

2-(Trifluoromethoxy)nitrobenzene 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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2-(Trifluoromethoxy)nitrobenzene Production Method

2-(Trifluoromethoxy)nitrobenzene Related Literature

Additional information on 2-(Trifluoromethoxy)nitrobenzene

2-(Trifluoromethoxy)nitrobenzene: A Comprehensive Overview

The compound 2-(Trifluoromethoxy)nitrobenzene, also known by its CAS number 1644-88-8, is a highly specialized aromatic compound with significant applications in various fields of chemistry. This compound is characterized by its unique structure, which includes a nitro group (-NO?) and a trifluoromethoxy group (-OCF?) attached to a benzene ring. The combination of these functional groups imparts distinctive chemical properties, making it a valuable material in both academic research and industrial applications.

Recent studies have highlighted the importance of 2-(Trifluoromethoxy)nitrobenzene in the development of advanced materials and pharmaceuticals. Researchers have explored its potential as a precursor for synthesizing bioactive compounds, particularly in the field of medicinal chemistry. The trifluoromethoxy group is known for its electron-withdrawing properties, which can enhance the stability and reactivity of the molecule in various chemical reactions. This makes it an ideal candidate for use in Suzuki-Miyaura coupling reactions, where it serves as an efficient arylating agent.

In addition to its role in organic synthesis, 2-(Trifluoromethoxy)nitrobenzene has been investigated for its potential in materials science. Its high thermal stability and unique electronic properties make it a promising candidate for applications in organic electronics. Recent research has focused on incorporating this compound into polymer systems to improve their electrical conductivity and mechanical properties. These findings suggest that 2-(Trifluoromethoxy)nitrobenzene could play a pivotal role in the development of next-generation electronic materials.

The synthesis of 2-(Trifluoromethoxy)nitrobenzene typically involves multi-step processes that require precise control over reaction conditions. One common approach involves the nitration of trifluoromethoxybenzene using mixed acid systems. This method ensures high yield and purity, making it suitable for large-scale production. However, researchers are continuously exploring alternative synthetic routes to improve efficiency and reduce environmental impact.

From an environmental perspective, the handling and disposal of 2-(Trifluoromethoxy)nitrobenzene must adhere to strict safety protocols due to its potential hazards. Studies have shown that improper handling can lead to the release of harmful byproducts, which may pose risks to both human health and the environment. Therefore, ongoing research is focused on developing safer and more sustainable methods for synthesizing and utilizing this compound.

In conclusion, 2-(Trifluoromethoxy)nitrobenzene (CAS No. 1644-88-8) is a versatile compound with wide-ranging applications across multiple disciplines. Its unique chemical properties, combined with recent advancements in synthesis and application techniques, position it as a key material in modern chemistry. As research continues to uncover new possibilities for this compound, its role in shaping future technologies is expected to grow significantly.

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