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CS-W001157 4
Total: USD 88.00

3-Nitrofluoranthene

  • CAS No. 892-21-7

  • Cat. No. CS-0573919
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-Nitrofluoranthene|CS-0573919

Structure of 892-21-7

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General Information

  • CAS No. 892-21-7
  • Cat. No. CS-0573919
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₉NO₂
  • Molecular Weight 247.25
  • Synonym(s) None
  • SMILES C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)[N+](=O)[O-]

Description

3-Nitrofluoranthene (3-NFA) is a nitro-polycyclic aromatic hydrocarbon (nitro-PAH). It is an air pollutant present in diesel exhaust and also in some xerographic toners and copies. Vibrational spectra of 3-NFA has been analyzed by FT-IR and density functional theory calculations. Detection of 3-NFA in suspended particulate matter has been reported by liquid chromatography with fluorescence detection. Carcinogenicity of 3-nitrofluoranthene in male F344/DuCrj rats has been studied. Voltammetric determination of 3-nitrofluoranthene in mixed methanol-water solutions by differential pulse voltammetry (DPV) at boron doped diamond thin-film electrode (BDDE) has been described. Analysis of 3-nitrofluoranthene, by HPLC separation and with electrochemiluminescence detection (ECL) has been reported.

Synthesis

  • Route1
    • null|null
      206-44-0
    • ~14%
    • 3-Nitrofluoranthene|CS-0573919
      892-21-7
    • null|null
      33611-88-0
    • 2-Nitrofluoranthene|CS-1163273
      13177-29-2
    • null|null
      110419-21-1

    References

    • Journal of Organic Chemistry, , vol. 55, # 9 p. 2616 - 2621
  • Route2
    • null|null
      206-44-0
    • ~60%
    • 3-Nitrofluoranthene|CS-0573919
      892-21-7
    • null|null
      13177-32-7
    • null|null
      13177-28-1
    • 2-Nitrofluoranthene|CS-1163273
      13177-29-2

    References

    • Journal of Organic Chemistry, , vol. 55, # 9 p. 2616 - 2621
  • Route3
    • null|null
      206-44-0
    • ~68%
    • 3-Nitrofluoranthene|CS-0573919
      892-21-7
    • null|null
      13177-32-7
    • null|null
      13177-28-1
    • null|null
      13177-31-6

    References

    • Journal of Organic Chemistry, , vol. 55, # 9 p. 2616 - 2621

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   4.3954
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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