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CS-W001157 4
Total: USD 88.00

1-Nitro-4-(prop-2-yn-1-yloxy)benzene

  • CAS No. 17061-85-7

  • Cat. No. CS-0215892
  • Purity≥95%
  • MDL No.None

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

1-Nitro-4-(prop-2-yn-1-yloxy)benzene|CS-0215892

Structure of 17061-85-7

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General Information

  • CAS No. 17061-85-7
  • Cat. No. CS-0215892
  • Purity ≥95%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) TXSHDUNPZCVHHF-UHFFFAOYSA
  • SMILES C#CCOC1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      100-02-7
    • null|null
      106-96-7
    • ~98%
    • In-stock
      1-Nitro-4-(prop-2-yn-1-yloxy)benzene|CS-0215892
      17061-85-7

    References

    • Pal, Manojit; Parasuraman, Karuppasamy; Yeleswarapu, Koteswar Rao Organic Letters, 2003 , vol. 5, # 3 p. 349 - 352
  • Route2
    • null|null
      100-02-7
    • In-stock
      Tetrabutylammonium bromide|CS-0010099
      1643-19-2
    • null|null
      106-96-7
    • ~92%
    • In-stock
      1-Nitro-4-(prop-2-yn-1-yloxy)benzene|CS-0215892
      17061-85-7

    References

    • KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA Patent: EP567993 A1, 1993 ;
  • Route3
    • null|null
      107-19-7
    • In-stock
      1-Fluoro-4-nitrobenzene|CS-W008789
      350-46-9
    • ~91%
    • In-stock
      1-Nitro-4-(prop-2-yn-1-yloxy)benzene|CS-0215892
      17061-85-7

    References

    • Raeppel, Stephane; Raeppel, Franck; Suffert, Jean Synlett, 1998 , # 7 p. 794 - 796

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   1.6068
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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