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CS-W001157 4
Total: USD 88.00

1-(4-Chlorophenyl)-2-nitroethan-1-one

  • CAS No. 5468-33-7

  • Cat. No. CS-0363584
  • Purity≥98%
  • MDL No.None

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

1-(4-Chlorophenyl)-2-nitroethan-1-one|CS-0363584

Structure of 5468-33-7

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General Information

  • CAS No. 5468-33-7
  • Cat. No. CS-0363584
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₃
  • Molecular Weight 199.59
  • Synonym(s) 1-(4-Chlorophenyl)-2-nitroethanone
  • SMILES O=[N+](CC(C1=CC=C(Cl)C=C1)=O)[O-]

Synthesis

  • Route1
    • null|null
      89979-04-4
    • ~%
    • 1-(4-Chlorophenyl)-2-nitroethan-1-one|CS-0363584
      5468-33-7

    References

    • Dann et al. Zeitschrift fuer Naturforschung, 1952 , vol. 7 b, p. 344,349
  • Route2
    • null|null
      101671-01-6
    • ~69%
    • 1-(4-Chlorophenyl)-2-nitroethan-1-one|CS-0363584
      5468-33-7

    References

    • Ashwell, Mark A.; Jackson, Richard F. W. Synthesis, 1988 , # 3 p. 229 - 231
  • Route3
    • null|null
      10364-95-1
    • null|null
      75-52-5
    • ~%
    • 1-(4-Chlorophenyl)-2-nitroethan-1-one|CS-0363584
      5468-33-7

    References

    • Baker,D.C.; Putt,S.R. Synthesis, 1978 , p. 478 - 479

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   1.7994
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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