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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 116686-84-1

  • Cat. No. CS-0441651
  • Purity≥98%
  • MDL No.None

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

1-(3-Chloro-4-nitrophenyl)ethan-1-one|CS-0441651

Structure of 116686-84-1

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General Information

  • CAS No. 116686-84-1
  • Cat. No. CS-0441651
  • 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) Ethanone, 1-(3-chloro-4-nitrophenyl)-
  • SMILES CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl

Synthesis

  • Route1

    References

    • Efficient Pharma Management Corporate Patent: US2012/15908 A1, 2012 ; Location in patent: Page/Page column 24 ;
  • Route2

    References

    • Fujisawa Pharmaceutical Co., Ltd. Patent: US4866091 A1, 1989 ;
  • Route3

    References

    • Tsuji; Nakamura; Konishi; Okumura; Matsuo Chemical and Pharmaceutical Bulletin, 1992 , vol. 40, # 9 p. 2399 - 2409

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   2.4508
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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