Cas no 17408-15-0 (1-(2-nitrophenyl)propan-1-one)

1-(2-Nitrophenyl)propan-1-one is a nitrated aromatic ketone with the molecular formula C9H9NO3. This compound is characterized by its nitro-substituted phenyl ring attached to a propanone moiety, making it a valuable intermediate in organic synthesis. Its structural features enable applications in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The nitro group enhances reactivity, facilitating further functionalization through reduction or substitution reactions. The compound exhibits moderate stability under standard conditions, though it should be handled with care due to its potential sensitivity to heat and light. Its well-defined chemical properties make it a reliable building block for research and industrial processes requiring precise aromatic ketone derivatives.
1-(2-nitrophenyl)propan-1-one structure
1-(2-nitrophenyl)propan-1-one structure
Product Name:1-(2-nitrophenyl)propan-1-one
CAS No:17408-15-0
MF:C9H9NO3
MW:179.172662496567
CID:168517
PubChem ID:260106
Update Time:2025-06-23

1-(2-nitrophenyl)propan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone,1-(2-nitrophenyl)-
    • 1-(2-nitrophenyl)propan-1-one
    • 2’-NITROPROPIOPHENONE
    • 2-nitropropiophenone
    • 1-(2-Nitro-phenyl)-propan-1-on
    • 1-(2-nitro-phenyl)-propan-1-one
    • 1-(2-nitrophenyl)propanone
    • 1-Propanone,1-(2-nitrophenyl)
    • 2-Nitropropiophenon
    • Aethyl-(2-nitro-phenyl)-keton
    • 1-Propanone, 1-(2-nitrophenyl)-
    • DTXSID80293615
    • NSC90987
    • EN300-51192
    • NCIOpen2_001330
    • 17408-15-0
    • SCHEMBL3167978
    • NSC-90987
    • Inchi: 1S/C9H9NO3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3
    • InChI Key: IRECTDZFQAWHEC-UHFFFAOYSA-N
    • SMILES: O=C(CC)C1C=CC=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 179.05800
  • Monoisotopic Mass: 179.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 209
  • 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: 1.8
  • Topological Polar Surface Area: 62.9?2

Experimental Properties

  • Density: 1.199
  • Boiling Point: 299.4°Cat760mmHg
  • Flash Point: 140.4°C
  • Refractive Index: 1.548
  • PSA: 62.89000
  • LogP: 2.71070

1-(2-nitrophenyl)propan-1-one Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

1-(2-nitrophenyl)propan-1-one Pricemore >>

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1-(2-nitrophenyl)propan-1-one Related Literature

Additional information on 1-(2-nitrophenyl)propan-1-one

1-(2-Nitrophenyl)propan-1-one: An Overview of Its Properties, Applications, and Recent Research

1-(2-Nitrophenyl)propan-1-one, also known by its CAS number 17408-15-0, is a versatile organic compound with a wide range of applications in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its unique molecular structure, which consists of a nitro group attached to a phenyl ring and a ketone group on a propyl chain. The combination of these functional groups imparts specific chemical and physical properties that make 1-(2-nitrophenyl)propan-1-one an interesting subject for both academic research and industrial applications.

The molecular formula of 1-(2-nitrophenyl)propan-1-one is C9H9NO3, and its molecular weight is 179.17 g/mol. The compound is a yellow solid at room temperature and has a melting point of 56-58°C. It is soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water. These physical properties make it suitable for various synthetic processes and analytical techniques.

In the realm of synthetic chemistry, 1-(2-nitrophenyl)propan-1-one serves as an important intermediate in the synthesis of more complex molecules. Its reactivity stems from the presence of the nitro group, which can undergo reduction to form amino derivatives, and the ketone group, which can participate in nucleophilic addition reactions. These transformations are crucial in the development of new materials and pharmaceuticals.

Recent research has highlighted the potential of 1-(2-nitrophenyl)propan-1-one in the field of medicinal chemistry. Studies have shown that compounds derived from 1-(2-nitrophenyl)propan-1-one exhibit promising biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. For instance, a study published in the Journal of Medicinal Chemistry reported that derivatives of 1-(2-nitrophenyl)propan-1-one demonstrated significant inhibition of cancer cell proliferation through the modulation of specific signaling pathways.

In addition to its medicinal applications, 1-(2-nitrophenyl)propan-1-one has been explored for its use in materials science. Researchers have synthesized polymers incorporating this compound to enhance their mechanical and thermal properties. These polymers have potential applications in areas such as coatings, adhesives, and electronic devices.

The environmental impact of 1-(2-nitrophenyl)propan-1-one is also an area of interest. Studies have investigated its biodegradability and toxicity to ensure its safe use in industrial processes. Preliminary findings suggest that under controlled conditions, 1-(2-nitrophenyl)propan-1-one can be effectively degraded by microbial communities, reducing its potential environmental impact.

In conclusion, 1-(2-nitrophenyl)propan-1-one (CAS No. 17408-15-0) is a multifaceted compound with diverse applications in chemistry, biology, and materials science. Its unique chemical structure and reactivity make it a valuable intermediate in synthetic processes and a promising candidate for the development of new pharmaceuticals and materials. Ongoing research continues to uncover new possibilities for this intriguing compound, further solidifying its importance in various scientific disciplines.

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