Cas no 2719-14-4 (3-Methyl-4-nitro-N-acetylbenzeneamine)

3-Methyl-4-nitro-N-acetylbenzeneamine is a nitro-substituted aromatic compound featuring an acetylated amine functional group. This intermediate is valuable in organic synthesis, particularly in the production of dyes, pharmaceuticals, and agrochemicals. Its nitro and acetyl groups enhance reactivity, facilitating further functionalization through reduction, substitution, or coupling reactions. The methyl group contributes to steric and electronic modulation, influencing selectivity in synthetic pathways. The compound exhibits stability under standard conditions, ensuring consistent performance in laboratory and industrial applications. Its well-defined structure and purity make it suitable for precise synthetic workflows, including the development of complex molecular architectures. Proper handling is advised due to potential sensitivity to heat and strong oxidizers.
3-Methyl-4-nitro-N-acetylbenzeneamine structure
2719-14-4 structure
Product Name:3-Methyl-4-nitro-N-acetylbenzeneamine
CAS No:2719-14-4
MF:C9H10N2O3
MW:194.187302112579
MDL:MFCD00628976
CID:269471
PubChem ID:73133
Update Time:2025-10-28

3-Methyl-4-nitro-N-acetylbenzeneamine Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-4-nitro-N-acetylbenzeneamine
    • 3-Methyl-4-nitro-N-a
    • 4-Methyl-3-nitroacetanilide
    • Acetamide,N-(4-methyl-3-nitrophenyl)-
    • N-(4-methyl-3-nitrophenyl)acetamide
    • 2-nitro-4-acetylaminotoluene
    • 4-acetylamino-2-nitrotoluene
    • 4'-METHYL-3'-NITROACETANILIDE
    • Acetamide,N-(4-methyl-3-nitrophenyl)
    • N-(4-Methyl-3-nitro-phenyl)-acetamide
    • p-Acetotoluidide,3'-nitro
    • HMS542B11
    • FT-0671998
    • PS-5791
    • CHEMBL1709263
    • Oprea1_832631
    • SCHEMBL7600834
    • NSC202380
    • NSC-202380
    • NCGC00245302-01
    • 2719-14-4
    • EINECS 220-319-0
    • 4-(N-Acetylamino)-2-nitrotoluene
    • 2-Nitro-4-acetamidotoluene
    • NSC 86673
    • AE-641/01625051
    • N-{3-nitro-4-methylphenyl}acetamide
    • 4-acetamido-2-nitrotoluene
    • NCIOpen2_001189
    • 3'-Nitro-p-acetotoluidide
    • HMS2657E19
    • MLS000711721
    • Acetamide, N-(4-methyl-3-nitrophenyl)-
    • DTXSID50181656
    • CS-W010659
    • SY316841
    • 2-Nitro-4-(acetylamino)toluene
    • NS00021974
    • Maybridge1_000209
    • NSC86673
    • 5X6N2N3HDH
    • AKOS000577988
    • MFCD00024277
    • XYTSBFSNPUGBIH-UHFFFAOYSA-N
    • SMR000281488
    • NSC 202380
    • NSC-86673
    • p-Acetotoluidide, 3'-nitro-
    • N-(4-Methyl -3-nitro-phenyl)acetamide
    • N-(4-Methyl-3-nitro-phenyl)acetamide
    • STL263638
    • DTXCID90104147
    • p-Acetotoluidide, 3'-nitro-(8CI)
    • Acetamide, N-(4-methyl-3-nitrophenyl)-(9CI)
    • MDL: MFCD00628976
    • Inchi: 1S/C9H10N2O3/c1-6-3-4-8(10-7(2)12)5-9(6)11(13)14/h3-5H,1-2H3,(H,10,12)
    • InChI Key: XYTSBFSNPUGBIH-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C=CC=1C)NC(C)=O)=O

Computed Properties

  • Exact Mass: 194.06900
  • Monoisotopic Mass: 194.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 237
  • 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: 1.6
  • Topological Polar Surface Area: 74.9A^2

Experimental Properties

  • Density: 1.289
  • Melting Point: 100-100.5°C
  • Boiling Point: 370°Cat760mmHg
  • Flash Point: 177.6°C
  • Refractive Index: 1.605
  • PSA: 74.92000
  • LogP: 2.45780

3-Methyl-4-nitro-N-acetylbenzeneamine Security Information

  • Hazardous Material Identification: Xi

3-Methyl-4-nitro-N-acetylbenzeneamine Customs Data

  • HS CODE:2921420090
  • Customs Data:

    China Customs Code:

    2921420090

    Overview:

    2921420090 Other aniline derivatives and their salts. 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

    Summary:

    HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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3-Methyl-4-nitro-N-acetylbenzeneamine Production Method

3-Methyl-4-nitro-N-acetylbenzeneamine Related Literature

  • 1. Polyaza heterocycles. Part 2. Nucleophilic substitution of halogens in halogenoquinoxalino[2,3-c]cinnolines
    Arshad Ahmad,Linda J. Dunbar,Iain G. Green,Ian W. Harvey,Thomas Shepherd,David M. Smith,Robert K. C. Wong J. Chem. Soc. Perkin Trans. 1 1994 2751

Additional information on 3-Methyl-4-nitro-N-acetylbenzeneamine

3-Methyl-4-nitro-N-acetylbenzeneamine (CAS No. 2719-14-4): Properties, Applications, and Market Insights

3-Methyl-4-nitro-N-acetylbenzeneamine (CAS No. 2719-14-4) is a specialized organic compound widely used in pharmaceutical and chemical research. This nitro-substituted aromatic amine derivative is gaining attention due to its unique structural properties and versatile applications. With the increasing demand for fine chemicals and intermediates, understanding this compound's characteristics is essential for researchers and industry professionals.

The molecular structure of 3-Methyl-4-nitro-N-acetylbenzeneamine features both nitro (-NO2) and acetyl (-COCH3) functional groups, which contribute to its reactivity and potential applications. Recent studies highlight its role as a precursor in synthesizing more complex molecules, particularly in medicinal chemistry and material science. The compound's stability under various conditions makes it valuable for experimental protocols requiring controlled reactions.

One of the most searched questions regarding 3-Methyl-4-nitro-N-acetylbenzeneamine is its solubility profile. Research indicates moderate solubility in organic solvents like ethanol, acetone, and dimethyl sulfoxide (DMSO), while being less soluble in water. This property is crucial for formulation scientists working on drug delivery systems or analytical methods. The compound's melting point ranges between 120-125°C, a characteristic often verified in quality control processes.

In pharmaceutical applications, 3-Methyl-4-nitro-N-acetylbenzeneamine serves as a building block for heterocyclic compounds with potential biological activity. Its structural motif appears in several research papers investigating antimicrobial agents and enzyme inhibitors. The nitro group in particular allows for further chemical modifications, making it a versatile intermediate in multi-step syntheses.

The global market for aromatic nitro compounds like 3-Methyl-4-nitro-N-acetylbenzeneamine is expanding, driven by demand from the pharmaceutical and agrochemical sectors. Manufacturers are focusing on developing efficient synthesis routes to meet the growing need for high-purity batches. Analytical techniques such as HPLC and NMR spectroscopy are routinely employed to verify the compound's purity and identity.

Environmental considerations are increasingly important when working with nitroaromatic compounds. Proper handling and disposal methods for 3-Methyl-4-nitro-N-acetylbenzeneamine are frequently discussed in safety guidelines. Researchers emphasize the importance of green chemistry principles when designing synthetic pathways involving this intermediate.

Recent advancements in catalytic reduction methods have improved the sustainability profile of 3-Methyl-4-nitro-N-acetylbenzeneamine production. These innovations address common challenges in nitro group transformations while minimizing waste generation. Such developments align with the pharmaceutical industry's push toward more eco-friendly processes.

Quality specifications for 3-Methyl-4-nitro-N-acetylbenzeneamine typically include parameters like assay purity (≥98%), residual solvents, and heavy metal content. These standards ensure the compound's suitability for various research and industrial applications. Storage recommendations usually suggest keeping the material in cool, dry conditions away from strong oxidizers.

The compound's spectroscopic properties make it identifiable through characteristic peaks in infrared (IR) and UV-Vis spectra. These analytical fingerprints are valuable for quality control and research purposes. Many laboratories maintain reference spectra of 3-Methyl-4-nitro-N-acetylbenzeneamine for comparison during synthetic work.

Future research directions for 3-Methyl-4-nitro-N-acetylbenzeneamine may explore its potential in material science applications, particularly in designing novel organic electronic materials. The compound's conjugated system and functional groups offer possibilities for creating specialized polymers with unique electronic properties.

For researchers sourcing 3-Methyl-4-nitro-N-acetylbenzeneamine, verifying supplier credentials and certificates of analysis is crucial. The compound is available through specialized chemical suppliers with varying packaging options from milligram to kilogram quantities. Proper documentation including safety data sheets should always accompany purchases.

In summary, 3-Methyl-4-nitro-N-acetylbenzeneamine (CAS No. 2719-14-4) represents an important intermediate in organic synthesis with growing relevance across multiple scientific disciplines. Its combination of structural features and reactivity continues to make it valuable for both academic research and industrial applications.

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