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CS-W001157 4
Total: USD 88.00

2-(3-Nitrophenyl)ethan-1-ol

  • CAS No. 52022-77-2

  • Cat. No. CS-0094051
  • Purity≥98%
  • MDL No.MFCD00010445

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

2-(3-Nitrophenyl)ethan-1-ol|CS-0094051

Structure of 52022-77-2

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General Information

  • CAS No. 52022-77-2
  • Cat. No. CS-0094051
  • Purity ≥98%
  • MDL No. MFCD00010445
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) 2-(3-Nitrophenyl)ethanol
  • SMILES OCCC1=CC=CC([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • ANACOR PHARMACEUTICALS, INC.; HERNANDEZ, Vincent, S.; LI, Xianfeng; ZHANG, Suoming; AKAMA, Tsutomu; ZHANG, Yanchen; LIU, Yang; PLATTNER, Jacob, J.; ALLEY, Michael, Kevin Richard; ZHOU, Yasheen; NEIMAN, James, A. Patent: WO2011/60196 A1, 2011 ; Location in patent: Page/Page column 190 ;
  • Route2

    References

    • Glaxo Group Limited Patent: US4990505 A1, 1991 ;
  • Route3

    References

    • Fors, Brett P.; Buchwald, Stephen L. Journal of the American Chemical Society, 2009 , vol. 131, # 36 p. 12898 - 12899

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.1296
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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