Cas no 1089279-29-7 (2-ethyl-4-fluoro-1-nitro-benzene)

2-Ethyl-4-fluoro-1-nitro-benzene is a fluorinated nitroaromatic compound with a molecular formula of C?H?FNO?. This intermediate is valued for its reactivity in organic synthesis, particularly in electrophilic aromatic substitution and nucleophilic displacement reactions due to the presence of electron-withdrawing nitro and fluoro groups. The ethyl substituent enhances solubility in organic solvents, facilitating its use in fine chemical manufacturing. Its structural features make it a useful precursor in pharmaceuticals, agrochemicals, and specialty materials. The compound exhibits stability under standard conditions, ensuring consistent performance in synthetic applications. Careful handling is advised due to potential sensitivity to heat and strong oxidizers.
2-ethyl-4-fluoro-1-nitro-benzene structure
1089279-29-7 structure
Product Name:2-ethyl-4-fluoro-1-nitro-benzene
CAS No:1089279-29-7
MF:C8H8FNO2
MW:169.153025627136
MDL:MFCD16658616
CID:1057421
PubChem ID:21277365
Update Time:2025-06-08

2-ethyl-4-fluoro-1-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • 2-Ethyl-4-fluoro-1-nitrobenzene
    • 2-ethyl-4-chloro-1-indanone
    • 4-CHLORO-2-ETHYL-1-INDANONE
    • 4-Chloro-2-ethyl-2,3-dihydro-1H-inden-1-one
    • 4-nitro-3-ethyl-fluorobenzene
    • MQNMCCCUGXMTSZ-UHFFFAOYSA-N
    • SY023824
    • 2-ethyl-4-fluoro-1-nitro-benzene
    • CS-11527
    • MFCD16658616
    • CS-0152529
    • SCHEMBL310839
    • EN300-248236
    • DB-104592
    • 2-ethyl-4-fluoronitrobenzene
    • 1089279-29-7
    • AC1596
    • AKOS023557927
    • A925975
    • MDL: MFCD16658616
    • Inchi: 1S/C8H8FNO2/c1-2-6-5-7(9)3-4-8(6)10(11)12/h3-5H,2H2,1H3
    • InChI Key: MQNMCCCUGXMTSZ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=C(C=1)CC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 169.05400
  • Monoisotopic Mass: 169.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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: 2.7
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • PSA: 45.82000
  • LogP: 2.81950

2-ethyl-4-fluoro-1-nitro-benzene Pricemore >>

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Additional information on 2-ethyl-4-fluoro-1-nitro-benzene

Introduction to 2-Ethyl-4-Fluoro-1-Nitro-Benzene (CAS No. 1089279-29-7)

2-Ethyl-4-fluoro-1-nitro-benzene (CAS No. 1089279-29-7) is a versatile organic compound with a unique combination of functional groups that make it a valuable intermediate in various chemical and pharmaceutical applications. This compound features an aromatic ring substituted with an ethyl group, a fluorine atom, and a nitro group, providing it with distinct chemical properties and reactivity profiles.

The chemical structure of 2-ethyl-4-fluoro-1-nitro-benzene consists of a benzene ring with the ethyl group at the 2-position, the fluorine atom at the 4-position, and the nitro group at the 1-position. The presence of these substituents imparts specific electronic and steric effects that influence its reactivity and stability. The ethyl group is electron-donating, while the fluorine atom is electron-withdrawing, and the nitro group is strongly electron-withdrawing. This combination results in a molecule with a balanced electronic distribution, making it suitable for various synthetic transformations.

In recent years, 2-ethyl-4-fluoro-1-nitro-benzene has gained significant attention in the field of organic synthesis due to its potential as a building block for more complex molecules. Its reactivity has been explored in several studies, highlighting its utility in the formation of novel compounds with diverse functionalities. For instance, the nitro group can be reduced to an amino group, which can then be further modified through various reactions such as acylation, alkylation, and coupling reactions.

One of the key applications of 2-ethyl-4-fluoro-1-nitro-benzene is in the synthesis of pharmaceutical intermediates. The presence of the fluorine atom and the ethyl group provides additional points of functionalization, allowing for the creation of compounds with enhanced biological activity. Fluorinated compounds are particularly important in drug design due to their ability to improve pharmacokinetic properties such as solubility, metabolic stability, and binding affinity to target proteins.

Recent research has also focused on the use of 2-ethyl-4-fluoro-1-nitro-benzene in the development of novel materials. The unique electronic properties of this compound make it suitable for applications in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). The ability to fine-tune the electronic properties through substitution patterns offers significant potential for optimizing device performance.

The synthesis of 2-ethyl-4-fluoro-1-nitro-benzene typically involves multi-step processes that ensure high purity and yield. Common synthetic routes include nitration of 2-ethylfluorobenzene followed by purification steps to remove by-products and impurities. The choice of reaction conditions, such as temperature, pressure, and catalysts, plays a crucial role in achieving optimal yields and selectivity.

Safety considerations are essential when handling 2-ethyl-4-fluoro-1-nitro-benzene due to its reactivity and potential health hazards. Proper personal protective equipment (PPE) should be used, and all handling should be conducted in well-ventilated areas or fume hoods. Additionally, storage conditions should be carefully controlled to prevent degradation or unwanted reactions.

In conclusion, 2-ethyl-4-fluoro-1-nitro-benzene (CAS No. 1089279-29-7) is a multifaceted compound with broad applications in organic synthesis, pharmaceuticals, and materials science. Its unique combination of functional groups makes it a valuable intermediate for creating complex molecules with enhanced properties. Ongoing research continues to explore new avenues for its use, further solidifying its importance in various scientific disciplines.

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