Cas no 54495-98-6 (Benzoic acid azanyl ester)

Benzoic acid azanyl ester, also known as hydroxylamine benzoate, is a chemical compound with the molecular formula C7H7NO2. It is commonly utilized as an intermediate in organic synthesis and pharmaceutical applications. The compound exhibits stability under standard conditions and is soluble in polar organic solvents, facilitating its use in various reaction schemes. Its benzoate moiety provides protective group functionality, while the azanyl (hydroxylamine) group serves as a versatile building block for the introduction of nitrogen-containing functionalities. This ester is valued for its straightforward synthesis and compatibility with a range of chemical transformations, making it a practical choice for researchers in medicinal chemistry and material science.
Benzoic acid azanyl ester structure
Benzoic acid azanyl ester structure
Product Name:Benzoic acid azanyl ester
CAS No:54495-98-6
MF:C7H7NO2
MW:137.135981798172
MDL:MFCD31800720
CID:374197
PubChem ID:191324
Update Time:2025-05-19

Benzoic acid azanyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid azanyl ester
    • Hydroxylamine, O-benzoyl- (6CI,7CI,9CI)
    • o-benzoyl-Hydroxylamine
    • O-Benzoylhydroxylamine
    • 54495-98-6
    • benzoic acid amino ester
    • HY-156846
    • Hydroxylamine, O-benzoyl-
    • A934862
    • DTXSID30202898
    • SCHEMBL72340
    • XXXHSQBVHSJQKS-UHFFFAOYSA-N
    • CS-0898461
    • amino benzoate
    • Hydroxylamine, O-benzoyl- (6CI,7CI,9CI)
    • MDL: MFCD31800720
    • Inchi: 1S/C7H7NO2/c8-10-7(9)6-4-2-1-3-5-6/h1-5H,8H2
    • InChI Key: XXXHSQBVHSJQKS-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)N

Computed Properties

  • Exact Mass: 137.04771
  • Monoisotopic Mass: 137.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 119
  • 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: 1.4
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32

Benzoic acid azanyl ester Pricemore >>

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Benzoic acid azanyl ester Related Literature

Additional information on Benzoic acid azanyl ester

Benzoic Acid Azanyl Ester: A Comprehensive Overview

The compound with CAS No 54495-98-6, commonly referred to as Benzoic Acid Azanyl Ester, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique properties and diverse applications across various industries. Recent studies have highlighted its potential in pharmaceuticals, agrochemicals, and advanced materials. The name itself, Benzoic Acid Azanyl Ester, reflects its structural composition, combining the aromatic stability of benzoic acid with the functional versatility of an azanyl ester group.

The synthesis of Benzoic Acid Azanyl Ester involves a series of carefully controlled reactions, often utilizing catalytic methods to enhance efficiency and yield. Researchers have explored various synthetic pathways, including nucleophilic acyl substitution and coupling reactions, to optimize the production process. The stability of this compound under different conditions has been a focal point of recent investigations, with findings suggesting that it exhibits remarkable thermal and chemical stability, making it suitable for high-temperature applications.

In terms of applications, Benzoic Acid Azanyl Ester has shown promise in the development of novel drug delivery systems. Its ability to form stable complexes with bioactive molecules has been leveraged in creating targeted drug delivery vehicles. Additionally, studies have demonstrated its potential as a precursor in the synthesis of advanced polymers and high-performance materials. The compound's role in enhancing the mechanical properties of polymers has been extensively documented, with recent research indicating improved tensile strength and flexibility in polymer matrices incorporating this ester.

The environmental impact of Benzoic Acid Azanyl Ester has also been a subject of scrutiny. Recent eco-toxicological studies have assessed its biodegradability and potential toxicity to aquatic life. Findings suggest that under controlled conditions, the compound exhibits moderate biodegradability, though further research is needed to fully understand its long-term environmental effects.

In conclusion, Benzoic Acid Azanyl Ester, CAS No 54495-98-6, stands as a versatile and promising compound with applications spanning multiple domains. Its unique chemical properties and adaptability continue to drive innovative research and development across industries.

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