Cas no 4958-56-9 ((2-Methylamino-5-nitrophenyl)phenylmethanone)

(2-Methylamino-5-nitrophenyl)phenylmethanone is a nitro-substituted aromatic ketone compound with potential applications in organic synthesis and pharmaceutical research. Its structure features both a methylamino and a nitro group on the phenyl ring, contributing to its reactivity as an intermediate in the preparation of more complex molecules. The compound’s electron-withdrawing nitro group enhances its utility in electrophilic substitution reactions, while the methylamino group offers opportunities for further functionalization. This makes it a valuable building block for the development of dyes, agrochemicals, or pharmacologically active compounds. Its well-defined chemical properties ensure consistent performance in synthetic workflows, supporting research in fine chemical and medicinal chemistry applications.
(2-Methylamino-5-nitrophenyl)phenylmethanone structure
4958-56-9 structure
Product Name:(2-Methylamino-5-nitrophenyl)phenylmethanone
CAS No:4958-56-9
MF:C14H12N2O3
MW:256.256683349609
CID:333847
PubChem ID:78661
Update Time:2025-06-08

(2-Methylamino-5-nitrophenyl)phenylmethanone Chemical and Physical Properties

Names and Identifiers

    • Methanone,[2-(methylamino)-5-nitrophenyl]phenyl-
    • 2-METHYLAMINO-5-NITROBENZOPHENONE
    • [2-(Methylamino)-5-nitrophenyl](phenyl)methanone
    • 2-Methylaminomethyl-5-nitrobenzophenone
    • Benzophenone,2-methylamino-5-nitro
    • Methanone,[2-(methylamino)-5-nitrophenyl]phenyl
    • (2-Methylamino-5-nitrophenyl)phenylmethanone
    • AKOS024330667
    • SCHEMBL8578400
    • 4958-56-9
    • NS00045680
    • Methanone, [2-(methylamino)-5-nitrophenyl]phenyl-
    • [2-(methylamino)-5-nitrophenyl]-phenylmethanone
    • (2-(Methylamino)-5-nitrophenyl)(phenyl)methanone
    • DTXSID70964281
    • 2-BENZOYL-N-METHYL-4-NITROANILINE
    • (2-METHYLAMINO-5-NITRO-PHENYL)-PHENYL-METHANONE
    • 2-methylamino-5-nitro-benzo-phenone
    • Benzophenone, 2-methylamino-5-nitro-
    • FT-0737957
    • EINECS 225-601-7
    • [2-(Methylamino)-5-nitrophenyl](phenyl)methanone #
    • Inchi: 1S/C14H12N2O3/c1-15-13-8-7-11(16(18)19)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,15H,1H3
    • InChI Key: KIWZKBUUWJTGPP-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)C1C=C(C=CC=1NC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 256.08500
  • Monoisotopic Mass: 256.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 334
  • 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
  • Topological Polar Surface Area: 74.9A^2
  • XLogP3: 3.6

Experimental Properties

  • Density: 1.288
  • Boiling Point: 471 °C at 760 mmHg
  • Flash Point: 238.7 °C
  • Refractive Index: 1.646
  • PSA: 74.92000
  • LogP: 3.46370

(2-Methylamino-5-nitrophenyl)phenylmethanone Customs Data

  • HS CODE:2922399090
  • Customs Data:

    China Customs Code:

    2922399090

    Overview:

    2922399090 Other amino aldehydes\Amino ketones and their salts(Including aminoquinone and its salts,Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% 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:

    2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

(2-Methylamino-5-nitrophenyl)phenylmethanone Pricemore >>

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Additional information on (2-Methylamino-5-nitrophenyl)phenylmethanone

(2-Methylamino-5-nitrophenyl)phenylmethanone: A Comprehensive Overview

The compound (2-Methylamino-5-nitrophenyl)phenylmethanone, identified by the CAS number 4958-56-9, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various scientific domains. The molecule consists of a phenyl group attached to a methanone moiety, with a substituted amino group at the 2-position and a nitro group at the 5-position on the phenyl ring. This combination of functional groups imparts distinctive chemical and physical properties to the compound.

Recent studies have highlighted the importance of (2-Methylamino-5-nitrophenyl)phenylmethanone in drug discovery and development. The presence of both amino and nitro groups makes this compound a versatile candidate for exploring biological activities, including anti-inflammatory, antioxidant, and antimicrobial properties. Researchers have utilized computational chemistry techniques to predict the binding affinity of this compound with various protein targets, revealing promising interactions that could lead to novel therapeutic agents.

In addition to its biological significance, (2-Methylamino-5-nitrophenyl)phenylmethanone has been explored for its role in material science. The molecule's aromaticity and functional group diversity make it a potential candidate for designing advanced materials, such as organic semiconductors or sensors. Recent advancements in nanotechnology have enabled the incorporation of this compound into thin-film devices, demonstrating enhanced electronic properties compared to traditional materials.

The synthesis of (2-Methylamino-5-nitrophenyl)phenylmethanone involves multi-step organic reactions, including nucleophilic substitution and condensation processes. Chemists have optimized reaction conditions to achieve high yields and purity levels, ensuring its reliability for further research and industrial applications. The development of eco-friendly synthesis routes has also been a focus, aligning with global sustainability goals.

From an environmental perspective, understanding the degradation pathways of (2-Methylamino-5-nitrophenyl)phenylmethanone is crucial for assessing its impact on ecosystems. Studies have shown that under specific environmental conditions, such as UV light or microbial activity, the compound undergoes transformation into less harmful byproducts. This knowledge is essential for regulating its use and disposal in industrial settings.

In conclusion, (2-Methylamino-5-nitrophenyl)phenylmethanone stands out as a multifaceted compound with diverse applications across various scientific disciplines. Its unique structure, combined with cutting-edge research findings, positions it as a valuable tool for advancing both academic and industrial objectives. As ongoing investigations continue to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in the future of chemical innovation.

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