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CS-W001157 4
Total: USD 88.00

1-(4-Methyl-3-nitrophenyl)ethan-1-one

  • CAS No. 5333-27-7

  • Cat. No. CS-W017279
  • Purity≥96%
  • MDL No.MFCD00033858

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

1-(4-Methyl-3-nitrophenyl)ethan-1-one|CS-W017279

Structure of 5333-27-7

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General Information

  • CAS No. 5333-27-7
  • Cat. No. CS-W017279
  • Purity ≥96%
  • MDL No. MFCD00033858
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃
  • Molecular Weight 179.17
  • Synonym(s) 4-Methyl-3-nitroacetophenone
  • SMILES CC(C1=CC=C(C)C([N+]([O-])=O)=C1)=O

Synthesis

  • Route1
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~76%
    • In-stock
      1-(4-Methyl-3-nitrophenyl)ethan-1-one|CS-W017279
      5333-27-7

    References

    • Kammari, Laxminarayana; Solomek, Tomas; Ngoy, Bokolombe Pitchou; Heger, Dominik; Klan, Petr Journal of the American Chemical Society, 2010 , vol. 132, # 33 p. 11431 - 11433
  • Route2
    • null|null
      7697-37-2
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~%
    • In-stock
      1-(4-Methyl-3-nitrophenyl)ethan-1-one|CS-W017279
      5333-27-7

    References

    • Gazzetta Chimica Italiana, , vol. 21 I, p. 98
  • Route3
    • null|null
      7664-93-9
    • null|null
      7697-37-2
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~%
    • In-stock
      1-(4-Methyl-3-nitrophenyl)ethan-1-one|CS-W017279
      5333-27-7

    References

    • Chemische Berichte, , vol. 53, p. 81

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

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