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3,5-Dimethyl-2-nitrophenol

  • CAS No. 5345-09-5

  • Cat. No. CS-0365831
  • Purity≥98%
  • MDL No.None

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

3,5-Dimethyl-2-nitrophenol|CS-0365831

Structure of 5345-09-5

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General Information

  • CAS No. 5345-09-5
  • Cat. No. CS-0365831
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) Phenol,3,5-dimethyl-2-nitro
  • SMILES CC1=CC(=C(C(=C1)O)[N+](=O)[O-])C

Synthesis

  • Route1

    References

    • Fischer, Alfred; Mathivanan, N. Tetrahedron Letters, 1988 , vol. 29, # 16 p. 1869 - 1872
  • Route2

    References

    • Adams; Stewart Journal of the American Chemical Society, 1941 , vol. 63, p. 2859,2861
  • Route3
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    • ~%
    • 3,5-Dimethyl-2-nitrophenol|CS-0365831
      5345-09-5

    References

    • Duthaler, Rudolf O. Helvetica Chimica Acta, 1983 , vol. 66, # 8 p. 2543 - 2563

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P280-P305+P351+P338-P330-P405-P501

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.91724
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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