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1-Methoxy-2,5-dimethyl-3-nitrobenzene

  • CAS No. 52415-07-3

  • Cat. No. CS-0574837
  • Purity≥98%
  • MDL No.None

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

1-Methoxy-2,5-dimethyl-3-nitrobenzene|CS-0574837

Structure of 52415-07-3

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General Information

  • CAS No. 52415-07-3
  • Cat. No. CS-0574837
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) 2-METHOXY-6-NITRO-P-XYLENE
  • SMILES CC1=CC(=C(C(=C1)OC)C)[N+](=O)[O-]

Synthesis

  • Route1
    • 2,5-Dimethyl-3-nitrophenol|CS-0580471
      65151-57-7
    • null|null
      77-78-1
    • ~%
    • 1-Methoxy-2,5-dimethyl-3-nitrobenzene|CS-0574837
      52415-07-3

    References

    • Sonn Chemische Berichte, 1916 , vol. 49, p. 2591

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   2.22024
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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