Cas no 62622-61-1 (1-Fluoro-3,4,5-trimethyl-2-nitrobenzene)

1-Fluoro-3,4,5-trimethyl-2-nitrobenzene structure
62622-61-1 structure
Product Name:1-Fluoro-3,4,5-trimethyl-2-nitrobenzene
CAS No:62622-61-1
MF:C9H10FNO2
MW:183.179605960846
CID:437617
PubChem ID:12346651
Update Time:2025-04-24

1-Fluoro-3,4,5-trimethyl-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Fluoro-3,4,5-trimethyl-2-nitrobenzene
    • 62622-61-1
    • DTXSID40492809
    • SCHEMBL18925687
    • Inchi: 1S/C9H10FNO2/c1-5-4-8(10)9(11(12)13)7(3)6(5)2/h4H,1-3H3
    • InChI Key: MVYZTPQLZPCCBI-UHFFFAOYSA-N
    • SMILES: FC1C=C(C)C(C)=C(C)C=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 183.0696
  • Monoisotopic Mass: 183.06955672g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 204
  • 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: 45.8?2

Experimental Properties

  • PSA: 43.14

1-Fluoro-3,4,5-trimethyl-2-nitrobenzene Pricemore >>

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Additional information on 1-Fluoro-3,4,5-trimethyl-2-nitrobenzene

Introduction to CAS No 62622-61-1: 1-Fluoro-3,4,5-trimethyl-2-nitrobenzene

CAS No 62622-61-1, commonly referred to as 1-fluoro-3,4,5-trimethyl-2-nitrobenzene, is a highly specialized organic compound with unique chemical properties. This compound has garnered significant attention in the fields of organic chemistry and materials science due to its distinctive structure and potential applications in various industries. The molecule consists of a benzene ring substituted with a fluoro group at position 1, nitro group at position 2, and three methyl groups at positions 3, 4, and 5. This substitution pattern imparts unique electronic and steric properties to the molecule.

The synthesis of 1-fluoro-3,4,5-trimethyl-2-nitrobenzene involves a series of carefully controlled reactions, including nitration and fluorination processes. Recent advancements in synthetic methodologies have enabled researchers to achieve higher yields and better purity levels for this compound. For instance, studies published in the Journal of Organic Chemistry have highlighted the use of microwave-assisted synthesis techniques to optimize the reaction conditions for this compound.

The chemical structure of CAS No 62622-61-1 plays a crucial role in its reactivity and functionality. The nitro group at position 2 is an electron-withdrawing group that significantly influences the electronic environment of the benzene ring. This effect is further modulated by the presence of three methyl groups, which are electron-donating groups at positions 3, 4, and 5. The fluoro group at position 1 adds another layer of complexity to the molecule's electronic properties due to its unique ability to both donate and withdraw electrons depending on the context.

Recent research has explored the application of 1-fluoro-3,4,5-trimethyl-2-nitrobenzene in various fields. For example, studies have demonstrated its potential as a precursor in the synthesis of advanced materials such as graphene derivatives and other carbon-based nanomaterials. Additionally, this compound has shown promise in pharmaceutical applications due to its ability to act as a building block for complex drug molecules.

In terms of stability and reactivity, CAS No 62622-61-1 exhibits remarkable thermal stability under normal conditions. However, it can undergo various transformations under specific reaction conditions. For instance, reduction reactions can lead to the conversion of the nitro group into an amino group, while hydrolysis reactions can alter the fluoro group into hydroxyl or other functional groups depending on the reaction conditions.

The synthesis and characterization of 1-fluoro-3,4,5-trimethyl-2-nitrobenzene have been extensively studied using modern analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). These studies have provided valuable insights into the molecular structure and bonding characteristics of this compound.

In conclusion, CAS No 62622-61-1, or 1-fluoro-3,4,5-trimethyl-2-nitrobenzene, is a fascinating compound with a wealth of potential applications across various scientific disciplines. Its unique chemical structure and reactivity make it an invaluable tool for researchers working in organic chemistry and related fields.

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