Cas no 70647-26-6 (3-nitro-4-phenyl-1H-pyrrole)

3-Nitro-4-phenyl-1H-pyrrole is a heterocyclic compound featuring a nitro-substituted pyrrole core with a phenyl group at the 4-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals, agrochemicals, and functional materials. The nitro group enhances electrophilic properties, facilitating further functionalization, while the phenyl moiety contributes to aromatic stability and potential π-π interactions. Its well-defined molecular framework allows for precise modifications, enabling applications in medicinal chemistry and material science. The compound is typically handled under controlled conditions due to its sensitivity, ensuring consistent performance in synthetic workflows.
3-nitro-4-phenyl-1H-pyrrole structure
3-nitro-4-phenyl-1H-pyrrole structure
Product Name:3-nitro-4-phenyl-1H-pyrrole
CAS No:70647-26-6
MF:C10H8N2O2
MW:188.182722091675
MDL:MFCD01568646
CID:546901
PubChem ID:3776866
Update Time:2025-06-11

3-nitro-4-phenyl-1H-pyrrole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole, 3-nitro-4-phenyl-
    • 3-nitro-4-phenyl-1H-pyrrole
    • CS-0238818
    • SB63583
    • MFCD01568646
    • Z1198157079
    • DTXSID70396285
    • 70647-26-6
    • Oprea1_517496
    • 3-nitro-4-phenyl-1H-pyrrol
    • 2G-941
    • EN300-2010031
    • AKOS006278686
    • SCHEMBL10844677
    • MDL: MFCD01568646
    • Inchi: 1S/C10H8N2O2/c13-12(14)10-7-11-6-9(10)8-4-2-1-3-5-8/h1-7,11H
    • InChI Key: WERKCGAXQMDPFW-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CNC=C1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 188.05864
  • Monoisotopic Mass: 188.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 209
  • 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: 2.2
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • PSA: 58.93

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Additional information on 3-nitro-4-phenyl-1H-pyrrole

Comprehensive Analysis of 3-Nitro-4-Phenyl-1H-Pyrrole (CAS No. 70647-26-6): Properties, Applications, and Industry Insights

3-Nitro-4-phenyl-1H-pyrrole (CAS No. 70647-26-6) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The nitro-substituted pyrrole core, combined with a phenyl group, offers versatile reactivity, making it a valuable intermediate in organic synthesis. Researchers frequently search for "synthesis of 3-nitro-4-phenyl-1H-pyrrole" or "applications of nitro-pyrrole derivatives," reflecting its relevance in modern chemistry.

The compound's molecular formula, C10H8N2O2, highlights its potential for forming hydrogen bonds and participating in electrophilic substitution reactions. Recent studies emphasize its role in developing bioactive molecules, particularly in antimicrobial and anti-inflammatory agents. Queries like "3-nitro-4-phenyl-1H-pyrrole solubility" or "spectroscopic data for CAS 70647-26-6" are common among analytical chemists, underscoring the need for detailed physicochemical profiling.

In the context of sustainability, green synthesis methods for nitro-aromatic compounds like 70647-26-6 are gaining traction. Innovations such as catalyst-free reactions or solvent-free conditions align with the industry's shift toward eco-friendly practices. Searches for "environmentally friendly pyrrole derivatives" or "CAS 70647-26-6 safety data" reflect this trend, driven by regulatory and environmental concerns.

From a commercial perspective, suppliers often list 3-nitro-4-phenyl-1H-pyrrole under categories like "high-purity heterocyclic building blocks" or "pharmaceutical intermediates." Its stability under controlled conditions makes it suitable for scaled-up production, though storage recommendations (e.g., inert atmosphere, low temperature) are critical to maintain integrity. FAQs such as "where to buy 70647-26-6" or "pyrrole derivative suppliers" indicate robust market demand.

Emerging applications in material science, such as organic semiconductors or conductive polymers, further expand the compound's utility. Researchers exploring "nitro-pyrrole electronic properties" or "70647-26-6 in optoelectronics" contribute to interdisciplinary advancements. Patent analyses reveal its inclusion in novel coatings and sensors, highlighting its adaptability beyond traditional chemistry sectors.

To summarize, 3-nitro-4-phenyl-1H-pyrrole (CAS No. 70647-26-6) exemplifies the intersection of synthetic chemistry and applied sciences. Its multifaceted roles—from drug discovery to advanced materials—ensure sustained interest, while evolving synthesis techniques address both performance and sustainability goals. For detailed protocols or commercial inquiries, authoritative databases and certified suppliers remain essential resources.

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