Cas no 70995-08-3 (4-Nitro-2-phenoxyphenol)

4-Nitro-2-phenoxyphenol is a nitro-substituted phenolic compound with applications in organic synthesis and specialty chemical manufacturing. Its structure, featuring both nitro and phenoxy functional groups, makes it a versatile intermediate for producing dyes, pharmaceuticals, and agrochemicals. The nitro group enhances reactivity, facilitating further chemical modifications, while the phenolic moiety contributes to solubility in polar organic solvents. This compound is valued for its stability under standard conditions and precise reactivity profile, enabling controlled synthesis processes. Its well-defined molecular properties allow for consistent performance in multi-step reactions, making it a reliable choice for research and industrial applications requiring high-purity intermediates.
4-Nitro-2-phenoxyphenol structure
4-Nitro-2-phenoxyphenol structure
Product Name:4-Nitro-2-phenoxyphenol
CAS No:70995-08-3
MF:C12H9NO4
MW:231.204163312912
CID:1068989
PubChem ID:12867154
Update Time:2025-06-08

4-Nitro-2-phenoxyphenol Chemical and Physical Properties

Names and Identifiers

    • Imp. G (EP): 4-Nitro-2-phenoxyphenol
    • LT97V976KV
    • 4-Nitro-2-phenoxyphenol; Nimesulide Imp. G (EP); Nimesulide Impurity G
    • Phenol, 4-nitro-2-phenoxy-
    • 4-Nitro-2-phenoxyphenol
    • UNII-LT97V976KV
    • SCHEMBL11470258
    • 2-Phenoxy-4-nitrophenol
    • Nimesulide Impurity G
    • 4-?Nitro-?2-?phenoxyphenol
    • 70995-08-3
    • Nimesulide Imp. G (EP): 4-Nitro-2-phenoxyphenol
    • Inchi: 1S/C12H9NO4/c14-11-7-6-9(13(15)16)8-12(11)17-10-4-2-1-3-5-10/h1-8,14H
    • InChI Key: HWZCVJQSXDYRID-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1C(=CC=C(C=1)[N+](=O)[O-])O

Computed Properties

  • Exact Mass: 231.05317
  • Monoisotopic Mass: 231.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 260
  • 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: 3.3
  • Topological Polar Surface Area: 75.3?2

Experimental Properties

  • Density: 1.357±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 63 oC (ligroine )
  • Solubility: Almost insoluble (0.028 g/l) (25 o C),
  • PSA: 72.6

4-Nitro-2-phenoxyphenol Security Information

4-Nitro-2-phenoxyphenol Pricemore >>

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Additional information on 4-Nitro-2-phenoxyphenol

4-Nitro-2-phenoxyphenol (CAS No. 70995-08-3): A Comprehensive Overview

4-Nitro-2-phenoxyphenol, identified by the CAS registry number 70995-08-3, is a chemically synthesized compound with significant applications in various industries. This compound is characterized by its unique structure, which includes a phenol group substituted with a nitro group at the para position and a phenoxy group at the ortho position. The combination of these functional groups imparts distinctive chemical properties, making it a valuable compound in research and industrial settings.

Recent studies have highlighted the potential of 4-nitro-2-phenoxyphenol in the field of materials science, particularly in the development of advanced polymers and composites. Researchers have explored its ability to act as a versatile building block for constructing high-performance materials with tailored properties. For instance, its electron-withdrawing nitro group enhances the reactivity of the molecule, enabling it to participate in various polymerization reactions. This has led to the creation of materials with improved thermal stability, mechanical strength, and electrical conductivity.

In addition to its role in materials science, 4-nitro-2-phenoxyphenol has also gained attention in pharmaceutical research. Its structure allows for potential applications as a precursor in drug synthesis or as an intermediate in medicinal chemistry. Recent findings suggest that derivatives of this compound may exhibit bioactivity against certain diseases, such as cancer or bacterial infections. However, further research is required to fully understand its pharmacokinetics and toxicity profiles before it can be considered for therapeutic use.

The synthesis of 4-nitro-2-phenoxyphenol typically involves multi-step organic reactions, often starting from readily available aromatic compounds. One common approach involves the nitration of a phenoxy-substituted phenol derivative using mixed acid systems (such as concentrated nitric acid and sulfuric acid). This reaction is carefully controlled to ensure regioselectivity, as the placement of the nitro group is critical for achieving the desired properties of the final product.

From an environmental perspective, understanding the fate and transport of 4-nitro-2-phenoxyphenol in natural systems is crucial for assessing its potential impact on ecosystems. Studies have shown that this compound exhibits moderate biodegradability under aerobic conditions, though its persistence in certain environments may pose risks to aquatic life if not properly managed. Regulatory frameworks are increasingly emphasizing the need for sustainable practices to minimize environmental exposure to such chemicals.

In conclusion, 4-nitro-2-phenoxyphenol (CAS No. 70995-08-3) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and functional groups make it a valuable tool in both academic research and industrial innovation. As advancements in synthetic methodologies and material science continue to evolve, the potential applications of this compound are expected to expand further, contributing to new breakthroughs in technology and medicine.

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