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1-(2-Methyl-5-nitrophenyl)ethan-1-one

  • CAS No. 58966-27-1

  • Cat. No. CS-0098084
  • Molecule weight179.17
  • Purity≥97%
  • MDL No.MFCD09878458

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

1-(2-Methyl-5-nitrophenyl)ethan-1-one|CS-0098084

Structure of 58966-27-1

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General Information

  • CAS No. 58966-27-1
  • Cat. No. CS-0098084
  • Purity ≥97%
  • MDL No. MFCD09878458
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃
  • Molecular Weight 179.17
  • Synonym(s) 1-(2-Methyl-5-nitrophenyl)ethanone
  • SMILES CC(C1=CC([N+]([O-])=O)=CC=C1C)=O

Synthesis

  • Route1

    References

    • American Cyanamid Company Patent: US4101582 A1, 1978 ;
  • Route2
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    • ~%
    • In-stock
      1-(2-Methyl-5-nitrophenyl)ethan-1-one|CS-0098084
      58966-27-1

    References

    • Blumer; Sorkin Helvetica Chimica Acta, 1949 , vol. 32, p. 2547,2549
  • Route3

    References

    • Blumer; Sorkin Helvetica Chimica Acta, 1949 , vol. 32, p. 2547,2549

Safety Information

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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 : P233-P235-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   2.10582
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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