Cas no 320-74-1 (2-Fluoro-1,5-dimethyl-3-nitrobenzene)

2-Fluoro-1,5-dimethyl-3-nitrobenzene is a fluorinated aromatic compound featuring a nitro group and two methyl substituents on the benzene ring. Its distinct structure makes it valuable as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The presence of fluorine enhances reactivity and metabolic stability, while the nitro group offers versatility for further functionalization. The compound's well-defined substitution pattern ensures predictable reactivity in electrophilic and nucleophilic transformations. It is typically supplied with high purity, ensuring consistent performance in research and industrial applications. Proper handling is advised due to its potential sensitivity to heat and strong oxidizing agents.
2-Fluoro-1,5-dimethyl-3-nitrobenzene structure
320-74-1 structure
Product Name:2-Fluoro-1,5-dimethyl-3-nitrobenzene
CAS No:320-74-1
MF:C8H8FNO2
MW:169.153025627136
CID:1092290
PubChem ID:20154041
Update Time:2025-06-11

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

Names and Identifiers

    • 2-Fluoro-1,5-dimethyl-3-nitrobenzene
    • 320-74-1
    • SCHEMBL9699609
    • EN300-7955277
    • DTXSID101291617
    • Inchi: 1S/C8H8FNO2/c1-5-3-6(2)8(9)7(4-5)10(11)12/h3-4H,1-2H3
    • InChI Key: QOMYCNBCBLXUSX-UHFFFAOYSA-N
    • SMILES: FC1=C(C=C(C)C=C1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 169.05390666g/mol
  • Monoisotopic Mass: 169.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 180
  • 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: 2.6
  • Topological Polar Surface Area: 45.8?2

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Additional information on 2-Fluoro-1,5-dimethyl-3-nitrobenzene

Compound CAS No 320-74-1: 2-Fluoro-1,5-Dimethyl-3-Nitrobenzene

2-Fluoro-1,5-dimethyl-3-nitrobenzene, also known by its CAS number CAS No 320-74-1, is a synthetic aromatic compound with a unique structure that makes it highly valuable in various chemical applications. This compound is characterized by its benzene ring substituted with a fluoro group at the 2-position, methyl groups at the 1 and 5 positions, and a nitro group at the 3-position. The combination of these substituents imparts distinctive electronic and steric properties to the molecule, making it an interesting subject for both academic research and industrial applications.

The synthesis of 2-fluoro-1,5-dimethyl-3-nitrobenzene typically involves multi-step organic reactions. One common approach is the nitration of a fluoro-substituted toluene derivative, followed by methylation and subsequent nitration steps. The exact synthesis pathway often depends on the desired regioselectivity and the availability of starting materials. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound, reducing production costs and environmental impact.

In terms of physical properties, 2-fluoro-1,5-dimethyl-3-nitrobenzene is a crystalline solid with a melting point of approximately 85°C. Its solubility in organic solvents such as dichloromethane and ethyl acetate is relatively high, making it suitable for various solution-based reactions. The compound exhibits moderate stability under standard conditions but can undergo decomposition under strong acidic or basic conditions, releasing potentially harmful byproducts.

The electronic effects of the substituents in 2-fluoro-1,5-dimethyl-3-nitrobenzene play a significant role in its reactivity. The electron-withdrawing nitro group at the 3-position activates the benzene ring towards electrophilic substitution reactions, particularly at the para position relative to itself. Conversely, the electron-donating methyl groups at positions 1 and 5 provide steric hindrance and modulate the overall reactivity of the molecule. These properties make it a versatile building block in organic synthesis.

Recent studies have explored the application of CAS No 320-74-1 in pharmaceutical chemistry. Researchers have investigated its potential as a precursor for bioactive compounds with anti-inflammatory and anticancer properties. For instance, derivatives of this compound have shown promising results in inhibiting certain enzymes associated with inflammation pathways. Additionally, its use as an intermediate in agrochemicals has been reported, where it contributes to the development of more effective herbicides and fungicides.

In materials science, 2-fluoro-1,5-dimethyl-3-nitrobenzene has been utilized as a precursor for advanced polymers and high-performance materials. Its ability to undergo polymerization under specific conditions has led to the creation of materials with enhanced thermal stability and mechanical strength. These materials are being considered for applications in aerospace and electronics industries.

The environmental impact of CAS No 320-74-1 has also been a topic of recent research. Studies have focused on its biodegradability and potential toxicity to aquatic life. While initial findings suggest that it is not highly toxic at low concentrations, further investigations are needed to fully understand its long-term effects on ecosystems.

In conclusion, 2-fluoro-1,5-dimethyl-3-nitrobenzene (CAS No 320-74) is a multifaceted compound with significant potential across various fields. Its unique chemical properties make it an invaluable tool in organic synthesis, pharmaceutical development, and materials science. As research continues to uncover new applications and improve synthesis methods, this compound is poised to play an even greater role in advancing modern chemistry.

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