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CS-W001157 4
Total: USD 88.00

4-Nitrophenylglyoxal hydrate

  • CAS No. 4996-22-9

  • Cat. No. CS-0042928
  • Purity≥97%
  • MDL No.None

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

4-Nitrophenylglyoxal hydrate|CS-0042928

Structure of 4996-22-9

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General Information

  • CAS No. 4996-22-9
  • Cat. No. CS-0042928
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight 197.14
  • Synonym(s) 2,2-Dihydroxy-1-(4-nitrophenyl)ethanone
  • SMILES C1=CC(=CC=C1[N+]([O-])=O)C(C(O)O)=O

Synthesis

  • Route1
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~74%
    • In-stock
      4-Nitrophenylglyoxal hydrate|CS-0042928
      4996-22-9

    References

    • Tetrahedron Asymmetry, , vol. 21, # 18 p. 2244 - 2248
  • Route2
    • P-Nitrophenylglyoxal|CS-0772321
      4974-57-6
    • ~%
    • In-stock
      4-Nitrophenylglyoxal hydrate|CS-0042928
      4996-22-9

    References

    • Tetrahedron Letters, , vol. 52, # 31 p. 4036 - 4038

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   100.67
  • LogP   0.0882
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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