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CS-W001157 4
Total: USD 88.00

4-Methyl-5-nitrocatechol

  • CAS No. 68906-21-8

  • Cat. No. CS-0454948
  • Purity≥97%
  • MDL No.MFCD04039616

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

4-Methyl-5-nitrocatechol|CS-0454948

Structure of 68906-21-8

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General Information

  • CAS No. 68906-21-8
  • Cat. No. CS-0454948
  • Purity ≥97%
  • MDL No. MFCD04039616
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₄
  • Molecular Weight 169.13
  • Synonym(s) 4M5NC
  • SMILES OC1=CC([N+]([O-])=O)=C(C)C=C1O

Synthesis

  • Route1

    References

    • Palumbo, Anna; Napolitano, Alessandra; D'Ischia, Marco Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 1 p. 13 - 16
  • Route2

    References

    • Annales de Chimie (Cachan, France), , vol. <7> 13, p. 497
  • Route3
    • null|null
      7509-11-7
    • ~%
    • In-stock
      4-Methyl-5-nitrocatechol|CS-0454948
      68906-21-8
    • null|null
      117890-18-3

    References

    • Journal of the Chemical Society, , vol. 107, p. 258

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.6
  • LogP   1.31442
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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