Cas no 39065-91-3 (Benzenamine,3-(chlorodifluoromethoxy)-)

Technical Introduction: Benzenamine, 3-(chlorodifluoromethoxy)- is a halogenated aniline derivative characterized by the presence of a chlorodifluoromethoxy substituent at the meta position of the benzene ring. This structural feature imparts unique reactivity and physicochemical properties, making it a valuable intermediate in organic synthesis, particularly for agrochemical and pharmaceutical applications. The chlorodifluoromethoxy group enhances electrophilic substitution potential and may contribute to improved metabolic stability in derived compounds. Its utility lies in selective functionalization and as a precursor for heterocyclic frameworks. Handling requires standard precautions for halogenated amines, including proper ventilation and protective equipment due to potential reactivity. Suitable for controlled reactions under anhydrous conditions.
Benzenamine,3-(chlorodifluoromethoxy)- structure
39065-91-3 structure
Product Name:Benzenamine,3-(chlorodifluoromethoxy)-
CAS No:39065-91-3
MF:C7H6ClF2NO
MW:193.578447818756
MDL:MFCD07777128
CID:304197
PubChem ID:13405092
Update Time:2025-06-09

Benzenamine,3-(chlorodifluoromethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,3-(chlorodifluoromethoxy)-
    • 3-(ChlorodifluoroMethoxy)aniline
    • 3-[chloro(difluoro)methoxy]aniline
    • 3-(chlorodifluoromethoxy)phenylamine
    • 3-(Difluorochloromethoxy)aniline
    • AKOS025311285
    • MFCD07777128
    • A824390
    • DTXSID50539734
    • 39065-91-3
    • FT-0639519
    • SCHEMBL10889608
    • MDL: MFCD07777128
    • Inchi: 1S/C7H6ClF2NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2
    • InChI Key: FLOJWBZQGYLBLL-UHFFFAOYSA-N
    • SMILES: ClC(OC1C=CC=C(C=1)N)(F)F

Computed Properties

  • Exact Mass: 193.01100
  • Monoisotopic Mass: 193.0105978g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 156
  • 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: 2.4
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25000
  • LogP: 3.01790

Benzenamine,3-(chlorodifluoromethoxy)- Security Information

Benzenamine,3-(chlorodifluoromethoxy)- Customs Data

  • HS CODE:2922299090
  • Customs Data:

    China Customs Code:

    2922299090

    Overview:

    2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Benzenamine,3-(chlorodifluoromethoxy)- Pricemore >>

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Additional information on Benzenamine,3-(chlorodifluoromethoxy)-

Benzenamine, 3-(chlorodifluoromethoxy)- (CAS No. 39065-91-3): A Comprehensive Overview

Benzenamine, 3-(chlorodifluoromethoxy)-, identified by its CAS number 39065-91-3, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of aromatic amines, characterized by its benzene ring substituted with an amine group and a chlorodifluoromethoxy moiety. The unique structural features of Benzenamine, 3-(chlorodifluoromethoxy)- make it a valuable intermediate in the synthesis of various bioactive molecules, particularly in the development of novel therapeutic agents.

The significance of this compound lies in its potential applications across multiple domains, including medicinal chemistry, agrochemicals, and material science. Its molecular structure, combining a chlorodifluoromethoxy group with a benzenamine backbone, provides a versatile platform for further functionalization and derivatization. This flexibility is crucial for designing molecules with tailored biological activities, making Benzenamine, 3-(chlorodifluoromethoxy)- an attractive candidate for research and development.

In recent years, there has been a growing interest in aromatic amines due to their diverse pharmacological properties. These compounds have been extensively studied for their roles in modulating various biological pathways, including enzyme inhibition and receptor binding. The presence of both electron-withdrawing and electron-donating groups in Benzenamine, 3-(chlorodifluoromethoxy)- enhances its interaction with biological targets, making it a promising scaffold for drug discovery.

One of the most compelling aspects of Benzenamine, 3-(chlorodifluoromethoxy)- is its utility as a building block in the synthesis of more complex molecules. The chlorodifluoromethoxy group serves as a reactive site for further chemical transformations, allowing chemists to introduce additional functional groups or modify existing ones. This adaptability is particularly valuable in medicinal chemistry, where the precise tuning of molecular structure is often required to achieve desired pharmacological effects.

The synthesis of Benzenamine, 3-(chlorodifluoromethoxy)- involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include nucleophilic aromatic substitution reactions, where the chlorodifluoromethoxy group is introduced onto the benzene ring. These reactions are typically carried out under controlled conditions to minimize side products and maximize efficiency.

The applications of Benzenamine, 3-(chlorodifluoromethoxy)- extend beyond pharmaceuticals. In agrochemical research, this compound has been explored as a precursor for developing novel pesticides and herbicides. Its structural features contribute to its efficacy in targeting specific biological pathways in pests while maintaining low toxicity to non-target organisms.

In material science, the unique properties of Benzenamine, 3-(chlorodifluoromethoxy)- have been leveraged in the design of advanced materials with specialized functionalities. For instance, its aromatic structure can enhance the thermal stability and mechanical strength of polymers when incorporated into their backbone. Additionally, the presence of fluorine atoms can improve hydrophobicity and other desirable physical properties.

The latest research on Benzenamine, 3-(chlorodifluoromethoxy)- has highlighted its potential in addressing emerging challenges in drug development. Studies have demonstrated its role as an intermediate in synthesizing small-molecule inhibitors targeting critical enzymes involved in diseases such as cancer and inflammation. The ability to modify its structure allows researchers to fine-tune its binding affinity and selectivity against specific biological targets.

Efforts are ongoing to optimize synthetic methodologies for large-scale production of Benzenamine, 3-(chlorodifluoromethoxy)-. Advances in catalytic processes and green chemistry principles have enabled more sustainable and efficient synthesis routes. These developments are crucial for reducing costs and environmental impact while maintaining high product quality.

The future prospects for Benzenamine, 3-(chlorodifluoromethoxy)- are promising, with ongoing studies exploring new applications and derivatives. Collaborative efforts between academia and industry are expected to drive innovation in this field, leading to the discovery of novel compounds with significant therapeutic value.

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