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CS-W001157 4
Total: USD 88.00

2-Hydroxy-2-(2-nitrophenyl)acetonitrile

  • CAS No. 13312-81-7

  • Cat. No. CS-0577130
  • Purity≥98%
  • MDL No.None

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

2-Hydroxy-2-(2-nitrophenyl)acetonitrile|CS-0577130

Structure of 13312-81-7

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General Information

  • CAS No. 13312-81-7
  • Cat. No. CS-0577130
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) o-nitromandelonitrile
  • SMILES C1=CC=C(C(=C1)C(C#N)O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      7677-24-9
    • In-stock
      2-Nitrobenzaldehyde|CS-W007454
      552-89-6
    • ~80%
    • In-stock
      2-Hydroxy-2-(2-nitrophenyl)acetonitrile|CS-0577130
      13312-81-7

    References

    • Shen, Zhi-Liang; Ji, Shun-Jun Synthetic Communications, 2009 , vol. 39, # 5 p. 775 - 791
  • Route2
    • null|null
      151-50-8
    • In-stock
      2-Nitrobenzaldehyde|CS-W007454
      552-89-6
    • ~87%
    • In-stock
      2-Hydroxy-2-(2-nitrophenyl)acetonitrile|CS-0577130
      13312-81-7

    References

    • Smitskamp-Wilms, E.; Brusse, J.; Gen, A. van der; Scharrenburg, G.J.M. van; Sloothaak, J. B. Recueil des Travaux Chimiques des Pays-Bas, 1991 , vol. 110, # 5 p. 209 - 215
  • Route3
    • null|null
      74-90-8
    • In-stock
      2-Nitrobenzaldehyde|CS-W007454
      552-89-6
    • ~%
    • In-stock
      2-Hydroxy-2-(2-nitrophenyl)acetonitrile|CS-0577130
      13312-81-7

    References

    • Van Langen, Luuk M.; Selassa, Rhoderick P.; Van Rantwijk, Fred; Sheldon, Roger A. Organic Letters, 2005 , vol. 7, # 2 p. 327 - 329

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   87.16
  • LogP   1.15178
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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