Cas no 1100-10-3 (Bis-(4-nitrophenyl)phenylamine)

Bis-(4-nitrophenyl)phenylamine is a nitro-substituted aromatic amine compound with applications in organic synthesis and materials science. Its structure, featuring two 4-nitrophenyl groups attached to a central phenylamine core, imparts electron-withdrawing properties, making it useful as an intermediate in the preparation of dyes, pigments, and advanced polymers. The compound exhibits stability under standard conditions and serves as a precursor for further functionalization due to its reactive nitro groups. Its well-defined molecular architecture allows for precise modifications, enabling tailored physicochemical properties in derived materials. Bis-(4-nitrophenyl)phenylamine is valued for its consistency in synthetic applications and compatibility with various reaction conditions.
Bis-(4-nitrophenyl)phenylamine structure
1100-10-3 structure
Product Name:Bis-(4-nitrophenyl)phenylamine
CAS No:1100-10-3
MF:C18H13N3O4
MW:335.313524007797
CID:139343
PubChem ID:5104586
Update Time:2025-05-21

Bis-(4-nitrophenyl)phenylamine Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,4-nitro-N-(4-nitrophenyl)-N-phenyl-
    • Bis-(4-nitrophenyl)phenylamine
    • 4-nitro-N-(4-nitrophenyl)-N-phenylaniline
    • 4,4'-Dinitrotriphenylamine
    • 4.4'-Dinitro-triphenylamin
    • Bis-(4-nitro-phenyl)-phenyl-amin
    • BIS(4-NITROPHENYL)PHENYLAMINE
    • Di-p-nitrophenyl-phenylamin
    • Phenyl-bis-<4-nitro-phenyl>-amin
    • 4,4'-Dinitro-triphenylaMine
    • 4-Nitro-N-(4-nitrophenyl)-N-phenyl-benzenaMine
    • BenzenaMine, 4-nitro-N-(4-nitrophenyl)-N-phenyl-
    • J-002362
    • NKZATZDYEKDQLV-UHFFFAOYSA-N
    • 1100-10-3
    • FT-0663355
    • DTXSID10408371
    • YSZC1586
    • SCHEMBL1039452
    • SCHEMBL15848882
    • AKOS003235720
    • CS-0170047
    • Inchi: 1S/C18H13N3O4/c22-20(23)17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(13-9-16)21(24)25/h1-13H
    • InChI Key: NKZATZDYEKDQLV-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 335.09100
  • Monoisotopic Mass: 335.09060590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 420
  • 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
  • Topological Polar Surface Area: 94.9?2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.8

Experimental Properties

  • Density: 1.3775 (rough estimate)
  • Melting Point: 196-198°C
  • Boiling Point: 471.97°C (rough estimate)
  • Flash Point: 271.9±25.9 °C
  • Refractive Index: 1.5855 (estimate)
  • PSA: 94.88000
  • LogP: 6.01920
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

Bis-(4-nitrophenyl)phenylamine Security Information

Bis-(4-nitrophenyl)phenylamine Customs Data

  • HS CODE:2921440000
  • Customs Data:

    China Customs Code:

    2921440000

    Overview:

    2921440000. Diphenylamine and its derivatives and their salts. VAT:17.0%. Tax refund rate:17.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921440000. diphenylamine and its derivatives; salts thereof. VAT:17.0%. Tax rebate rate:17.0%. . MFN tariff:6.5%. General tariff:30.0%

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Bis-(4-nitrophenyl)phenylamine Production Method

Bis-(4-nitrophenyl)phenylamine Related Literature

Additional information on Bis-(4-nitrophenyl)phenylamine

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Bis-(4-nitrophenyl)phenylamine: A Comprehensive Overview

Bis-(4-nitrophenyl)phenylamine, also known by its CAS number 1100-10-3, is a significant compound in the field of organic chemistry, particularly within the realm of aromatic amines. This compound has garnered attention due to its unique structural properties and diverse applications across various industries. In this article, we delve into the characteristics, synthesis, applications, and recent advancements related to Bis-(4-nitrophenyl)phenylamine.

The molecular structure of Bis-(4-nitrophenyl)phenylamine consists of a central phenyl ring substituted with two nitro groups at the para positions and an amino group at another position. This arrangement imparts the compound with distinctive electronic properties, making it a valuable precursor in synthetic chemistry. Recent studies have highlighted its role in the development of advanced materials, including conductive polymers and nonlinear optical materials.

One of the most notable applications of Bis-(4-nitrophenyl)phenylamine is in the synthesis of azo dyes and pigments. The compound serves as an intermediate in the production of highly colored substances used in textiles, plastics, and coatings. Its ability to form stable azo linkages has been extensively explored in recent research, particularly in the context of sustainable dye production methods.

In addition to its industrial applications, Bis-(4-nitrophenyl)phenylamine has found relevance in medicinal chemistry. Researchers have investigated its potential as a building block for bioactive compounds, including anticancer agents and enzyme inhibitors. Recent findings suggest that derivatives of this compound exhibit promising activity against certain types of cancer cells, paving the way for further exploration in drug discovery.

The synthesis of Bis-(4-nitrophenyl)phenylamine typically involves nucleophilic aromatic substitution reactions or coupling reactions under specific conditions. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing the overall cost and environmental impact associated with its production.

From an environmental standpoint, understanding the fate and toxicity of Bis-(4-nitrophenyl)phenylamine is crucial. Studies have shown that while it exhibits moderate toxicity to aquatic organisms, its degradation pathways under various environmental conditions remain an area of active research. Efforts are being made to develop bioremediation strategies to mitigate any potential ecological risks associated with its use.

In conclusion, Bis-(4-nitrophenyl)phenylamine (CAS No: 1100-10-3) stands as a versatile compound with wide-ranging applications across multiple disciplines. Its role as a key intermediate in organic synthesis continues to be expanded upon by researchers worldwide. With ongoing advancements in synthetic methodologies and material science, the future prospects for this compound appear both promising and dynamic.

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