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CS-W001157 4
Total: USD 88.00

1-Methoxy-2,5-dimethyl-4-nitrobenzene

  • CAS No. 3139-06-8

  • Cat. No. CS-0450895
  • Purity≥98%
  • MDL No.None

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

1-Methoxy-2,5-dimethyl-4-nitrobenzene|CS-0450895

Structure of 3139-06-8

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General Information

  • CAS No. 3139-06-8
  • Cat. No. CS-0450895
  • 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) 1-Methoxy-2,5-diMethyl-4-nitrobenzene,
  • SMILES CC1=C(C=C(C)C(=C1)OC)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; SCHULZ, Mark, James; WANG, Yonghui Patent: WO2010/59549 A1, 2010 ; Location in patent: Page/Page column 19 ; WO 2010/059549 A1
  • Route2

    References

    • Flitsch; Russkamp 1985 , vol. 1985, # 7 p. 1398 - 1412
  • Route3
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    • 1-Methoxy-2,5-dimethyl-4-nitrobenzene|CS-0450895
      3139-06-8

    References

    • Flitsch; Russkamp 1985 , vol. 1985, # 7 p. 1398 - 1412

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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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