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CS-W001157 4
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1-(3-Nitrophenyl)ethan-1-ol

  • CAS No. 5400-78-2

  • Cat. No. CS-0097863
  • Purity≥98%
  • MDL No.MFCD00053608

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

1-(3-Nitrophenyl)ethan-1-ol|CS-0097863

Structure of 5400-78-2

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General Information

  • CAS No. 5400-78-2
  • Cat. No. CS-0097863
  • Purity ≥98%
  • MDL No. MFCD00053608
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) METHYL M-NITROPHENYL CARBINOL
  • SMILES CC(C1=CC=CC([N+]([O-])=O)=C1)O

Synthesis

  • Route1

    References

    • Fernandes, Jane Luiza Nogueira; De Souza, Marcos Costa; Brenelli, Eugenia Cristina Souza; Brenelli, Jose Afranio Synthesis, 2009 , # 23 art. no. M03909SS, p. 4058 - 4062
  • Route2

    References

    • Okamoto, Tadashi; Oka, Shinzaburo Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1589 - 1594
  • Route3
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      555-31-7
    • In-stock
      1-(3-Nitrophenyl)ethanone|CS-W020548
      121-89-1
    • ~%
    • In-stock
      1-(3-Nitrophenyl)ethan-1-ol|CS-0097863
      5400-78-2

    References

    • Journal of the American Chemical Society, , vol. 71, p. 3622,3623 Chemische Berichte, , vol. 70, p. 1520,1524

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-H332-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   63.37
  • LogP   1.6481
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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