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CS-W001157 4
Total: USD 88.00

4-Chloro-3-nitroquinoline

  • CAS No. 39061-97-7

  • Cat. No. CS-W008830
  • Purity≥98%
  • MDL No.MFCD07369246

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

4-Chloro-3-nitroquinoline|CS-W008830

Structure of 39061-97-7

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General Information

  • CAS No. 39061-97-7
  • Cat. No. CS-W008830
  • Purity ≥98%
  • MDL No. MFCD07369246
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅ClN₂O₂
  • Molecular Weight None
  • Synonym(s) 3-Nitro-4-chloroquinoline; 4-Chloro-3-nitroquinoline; 4-Chlor-3-nitro-chinolin
  • SMILES ClC1=C([N+]([O-])=O)C=NC2=CC=CC=C12

Synthesis

  • Route1

    References

    • CAYLA; VERNEJOUL, Fabienne; DEBIN, Arnaud; DROCOURT, Daniel; PEROUZEL, Eric; TIRABY, Gerard; LIOUX, Thierry Patent: US2014/141033 A1, 2014 ; Location in patent: Page/Page column ;
  • Route2

    References

    • Dainippon Sumitomo Pharma Co. Ltd.; AstraZeneca AB Patent: US2011/136801 A1, 2011 ;
  • Route3
    • 2-(2-Nitroethylidene)aminobenzoic acid|CS-M2022
      121845-92-9
    • ~%
    • 4-Chloro-3-nitroquinoline|CS-W008830
      39061-97-7

    References

    • Bachman et al. Journal of the American Chemical Society, 1947 , vol. 69, p. 365,370

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.03
  • LogP   2.7964
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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