Cas no 37558-77-3 (N-(2-nitrophenyl)methylhydroxylamine)

N-(2-Nitrophenyl)methylhydroxylamine is a specialized organic compound featuring a hydroxylamine group attached to a 2-nitrophenylmethyl moiety. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of heterocyclic compounds and nitrone derivatives. Its nitro group enhances reactivity in nucleophilic and electrophilic substitution reactions, while the hydroxylamine functionality allows for applications in oxidation and reduction processes. The compound is often utilized in research settings for the development of pharmaceuticals, agrochemicals, and coordination chemistry ligands. Its stability under controlled conditions and well-defined reactivity profile contribute to its utility in complex synthetic pathways.
N-(2-nitrophenyl)methylhydroxylamine structure
37558-77-3 structure
Product Name:N-(2-nitrophenyl)methylhydroxylamine
CAS No:37558-77-3
MF:C7H8N2O3
MW:168.15002155304
CID:3954111
PubChem ID:23321074
Update Time:2025-11-01

N-(2-nitrophenyl)methylhydroxylamine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, N-hydroxy-2-nitro-
    • N-[(2-nitrophenyl)methyl]hydroxylamine
    • N-(2-nitrophenyl)methylhydroxylamine
    • EN300-1841253
    • SCHEMBL3419481
    • MBA55877
    • N-((2-nitrophenyl)methyl)hydroxylamine
    • 37558-77-3
    • 970-992-6
    • AKOS021003458
    • Inchi: 1S/C7H8N2O3/c10-8-5-6-3-1-2-4-7(6)9(11)12/h1-4,8,10H,5H2
    • InChI Key: OTPVMQSPENXDJL-UHFFFAOYSA-N
    • SMILES: C1(CNO)=CC=CC=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 168.05349212Da
  • Monoisotopic Mass: 168.05349212Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 157
  • 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
  • Topological Polar Surface Area: 78.1?2

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Additional information on N-(2-nitrophenyl)methylhydroxylamine

N-(2-nitrophenyl)methylhydroxylamine (CAS No. 37558-77-3): A Comprehensive Overview of Its Properties and Applications

N-(2-nitrophenyl)methylhydroxylamine (CAS No. 37558-77-3) is a specialized organic compound that has garnered significant attention in recent years due to its unique chemical structure and versatile applications. This compound, often referred to in scientific literature as 2-Nitro-N-methylhydroxylamine, belongs to the class of nitrophenyl derivatives and exhibits properties that make it valuable in various research and industrial fields. Its molecular formula, C7H8N2O3, highlights the presence of both nitro and hydroxylamine functional groups, which contribute to its reactivity and utility.

One of the most frequently searched questions about N-(2-nitrophenyl)methylhydroxylamine revolves around its synthesis and purification methods. Researchers often seek optimized protocols for its preparation, which typically involves the reaction of 2-nitrophenyl derivatives with methylhydroxylamine under controlled conditions. The compound's stability and solubility in organic solvents like ethanol, acetone, and dimethyl sulfoxide (DMSO) are also common topics of interest, as these properties are critical for its handling and application in laboratory settings.

In the context of current scientific trends, N-(2-nitrophenyl)methylhydroxylamine has been explored for its potential role in green chemistry and sustainable synthesis. With the growing emphasis on environmentally friendly processes, this compound's ability to participate in catalytic reactions and its biodegradability profile have made it a subject of study. Additionally, its applications in pharmaceutical intermediates and agrochemical research align with the increasing demand for novel compounds in drug discovery and crop protection.

The compound's spectroscopic characteristics, such as its NMR and IR spectra, are often discussed in academic forums and research papers. These analytical data are essential for identifying and characterizing N-(2-nitrophenyl)methylhydroxylamine in complex mixtures. Furthermore, its mass spectrometry profile provides insights into its fragmentation patterns, which are valuable for quality control and purity assessment in industrial applications.

Another area of interest is the compound's potential role in material science. Recent studies have investigated its use as a building block for functional polymers and coordination complexes. The nitro and hydroxylamine groups in its structure allow for diverse chemical modifications, enabling the design of materials with tailored properties for specific applications, such as sensors or catalysts.

Safety and handling guidelines for N-(2-nitrophenyl)methylhydroxylamine are also a common query among laboratory professionals. While the compound is not classified as hazardous under standard regulations, proper storage conditions—such as protection from light and moisture—are recommended to maintain its stability. Material Safety Data Sheets (MSDS) provide detailed information on its handling, including recommended personal protective equipment (PPE) and first-aid measures.

In summary, N-(2-nitrophenyl)methylhydroxylamine (CAS No. 37558-77-3) is a compound of significant scientific and industrial relevance. Its unique chemical properties, coupled with its applications in green chemistry, pharmaceuticals, and material science, make it a subject of ongoing research. As the scientific community continues to explore its potential, this compound is likely to remain a topic of interest in both academic and industrial circles.

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