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1-(5-Chloro-2-hydroxy-3-nitrophenyl)ethan-1-one

  • CAS No. 84942-40-5

  • Cat. No. CS-0173212
  • Molecule weight215.59
  • Purity≥96%
  • MDL No.MFCD00191921

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

1-(5-Chloro-2-hydroxy-3-nitrophenyl)ethan-1-one|CS-0173212

Structure of 84942-40-5

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General Information

  • CAS No. 84942-40-5
  • Cat. No. CS-0173212
  • Purity ≥96%
  • MDL No. MFCD00191921
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₄
  • Molecular Weight 215.59
  • Synonym(s) 5'-Chloro-2'-hydroxy-3'-nitroacetophenone
  • SMILES CC(C1=CC(Cl)=CC([N+]([O-])=O)=C1O)=O

Description

5-Chloro-2-hydroxy-3-nitroacetophenone (5-chloro-3-nitro-2-hydroxyacetophenone) is a nitro derivative of ortho-hydroxy aryl ketone. Its crystal structure has been studied by X-ray diffraction. It forms complex with 2-aminobenzoic acid (anthranilic acid), in which the nitro group is turned by approximately 40C.5-Chloro-2-hydroxy-3-nitroacetophenone may be used for the synthesis of 6-chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde.

Synthesis

  • Route1

    References

    • Burdeska, K. Synthesis, 1982 , # 11 p. 940 - 942
  • Route2

    References

    • Oriental Journal of Chemistry, , vol. 27, # 3 p. 1053 - 1062
  • Route3
    • null|null
      106-48-9
    • ~%
    • In-stock
      1-(5-Chloro-2-hydroxy-3-nitrophenyl)ethan-1-one|CS-0173212
      84942-40-5

    References

    • Oriental Journal of Chemistry, , vol. 27, # 3 p. 1053 - 1062

Safety Information

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

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.1564
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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