Cas no 7595-68-8 (N-benzyl-3-nitrobenzamide)

N-benzyl-3-nitrobenzamide is a nitro-substituted benzamide derivative characterized by its benzyl and nitro functional groups at the 3-position of the benzene ring. This compound is primarily utilized in organic synthesis and pharmaceutical research as an intermediate for the development of more complex molecules. Its nitro group offers reactivity for further functionalization, while the benzyl moiety enhances solubility in organic solvents. The compound exhibits stability under standard laboratory conditions, making it suitable for multistep synthetic processes. Its well-defined structure and purity are critical for reproducibility in research applications. N-benzyl-3-nitrobenzamide is commonly employed in medicinal chemistry for scaffold modification and ligand design.
N-benzyl-3-nitrobenzamide structure
N-benzyl-3-nitrobenzamide structure
Product Name:N-benzyl-3-nitrobenzamide
CAS No:7595-68-8
MF:C14H12N2O3
MW:256.256683349609
CID:982164
PubChem ID:347075
Update Time:2025-08-04

N-benzyl-3-nitrobenzamide Chemical and Physical Properties

Names and Identifiers

    • N-benzyl-3-nitrobenzamide
    • benzamide, 3-nitro-N-(phenylmethyl)-
    • AKOS000436683
    • 7595-68-8
    • SR-01000253168-1
    • 3-nitro-N-(phenylmethyl)benzamide
    • N-phenylmethyl-3-nitrobenzamide
    • DTXSID90324040
    • SR-01000253168
    • CS-0331128
    • XEVAPEULJLQLAA-UHFFFAOYSA-N
    • NSC405530
    • Oprea1_590452
    • SCHEMBL1083633
    • NSC-405530
    • STK098230
    • HS-4073
    • Inchi: 1S/C14H12N2O3/c17-14(15-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h1-9H,10H2,(H,15,17)
    • InChI Key: XEVAPEULJLQLAA-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C=1)[N+](=O)[O-])NCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 256.08486
  • Monoisotopic Mass: 256.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 321
  • 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: 2.1
  • Topological Polar Surface Area: 74.9?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 468.9±38.0 °C at 760 mmHg
  • Flash Point: 237.4±26.8 °C
  • PSA: 72.24
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

N-benzyl-3-nitrobenzamide Security Information

N-benzyl-3-nitrobenzamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1401798-1g
N-benzyl-3-nitrobenzamide
7595-68-8 98%
1g
¥4201.00 2024-07-28
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1401798-5g
N-benzyl-3-nitrobenzamide
7595-68-8 98%
5g
¥12096.00 2024-07-28

N-benzyl-3-nitrobenzamide Related Literature

Additional information on N-benzyl-3-nitrobenzamide

N-Benzyloxycarbonyl-3-Nitrobenzamide: A Comprehensive Overview

N-Benzyloxycarbonyl-3-nitrobenzamide, also known as N-benzyl-3-nitrobenzamide with CAS No. 7595-68-8, is a compound of significant interest in the fields of organic chemistry and materials science. This compound has been extensively studied for its unique properties and potential applications in various industries. Recent advancements in synthetic methodologies and characterization techniques have further enhanced our understanding of its structure, reactivity, and functionality.

The molecular structure of N-benzyl-3-nitrobenzamide comprises a benzene ring substituted with a nitro group at the 3-position and an amide group attached to a benzyl moiety. This arrangement imparts the compound with distinct electronic and steric properties, making it a valuable building block in organic synthesis. The nitro group introduces electron-withdrawing effects, which can influence the reactivity of the molecule in various chemical transformations.

Recent studies have highlighted the role of N-benzyl-3-nitrobenzamide as an intermediate in the synthesis of bioactive compounds. Its ability to undergo nucleophilic aromatic substitution reactions has been exploited in the development of novel pharmaceutical agents. For instance, researchers have successfully utilized this compound as a precursor for the synthesis of heterocyclic compounds with potential anticancer activity.

In addition to its role in drug discovery, N-benzyl-3-nitrobenzamide has found applications in materials science. Its high thermal stability and ability to form stable amide bonds make it a promising candidate for use in polymer chemistry. Recent investigations have demonstrated its utility as a monomer in the synthesis of polyamides with improved mechanical and thermal properties.

The synthesis of N-benzyl-3-nitrobenzamide typically involves the reaction of 3-nitrobenzoic acid with benzylamine under appropriate conditions. Optimization of reaction parameters, such as temperature and solvent choice, has led to higher yields and purer products. Advanced analytical techniques, including high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy, have been employed to confirm the structure and purity of the compound.

From an environmental perspective, the ecological impact of N-benzyl-3-nitrobenzamide has been a subject of recent research. Studies indicate that it exhibits low toxicity towards aquatic organisms under standard test conditions. However, further investigations are required to fully understand its long-term environmental fate and potential risks.

In conclusion, N-benzyl-3-nitrobenzamide (CAS No. 7595-68-8) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties, coupled with advancements in synthetic methodologies, position it as a valuable tool in modern chemical research. As ongoing studies continue to uncover new insights into its behavior and utility, this compound is expected to play an increasingly important role in both academic and industrial settings.

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