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CS-W001157 4
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3-Nitrodibenzofuran

  • CAS No. 5410-97-9

  • Cat. No. CS-B1161
  • Molecule weight213.19
  • Purity≥98%
  • MDL No.MFCD00092337

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

3-Nitrodibenzofuran|CS-B1161

Structure of 5410-97-9

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General Information

  • CAS No. 5410-97-9
  • Cat. No. CS-B1161
  • Purity ≥98%
  • MDL No. MFCD00092337
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₇NO₃
  • Molecular Weight 213.19
  • Synonym(s) 3-Nitrodibenzofuran; 5-17-02-00239 (Beilstein Handbook Reference)
  • SMILES O=[N+](C1=CC=C2C(OC3=CC=CC=C23)=C1)[O-]

Synthesis

  • Route1

    References

    • BASF SE; BASF (CHINA) COMPANY LIMITED; MOLT, Oliver; LENNARTZ, Christian; DORMANN, Korinna; FUCHS, Evelyn; GEssNER, Thomas; LANGER, Nicolle; WATANABE, Soichi; SCHILDKNECHT, Christian; WAGENBLAST, Gerhard Patent: WO2012/20327 A1, 2012 ; Location in patent: Page/Page column 54 ;
  • Route2
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      86607-75-2
    • ~68%
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      3-Nitrodibenzofuran|CS-B1161
      5410-97-9

    References

    • Ames, D. E.; Opalko, A. Synthesis, 1983 , # 3 p. 234 - 235
  • Route3

    References

    • Advanced Synthesis and Catalysis, , vol. 340, # 5 p. 430 - 436

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P280-P305+P351+P338-P330-P405-P501

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Computational Chemistry Data

  • TPSA   56.28
  • LogP   3.4942
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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