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CS-W001157 4
Total: USD 88.00

3,4-Dimethyl-2,6-dinitrophenol

  • CAS No. 4097-61-4

  • Cat. No. CS-0118650
  • Purity≥98%
  • MDL No.None

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

3,4-Dimethyl-2,6-dinitrophenol|CS-0118650

Structure of 4097-61-4

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General Information

  • CAS No. 4097-61-4
  • Cat. No. CS-0118650
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₅
  • Molecular Weight 212.16
  • Synonym(s) 3,4-dimethyl-2,6-dinitro-phenol
  • SMILES OC1=C([N+]([O-])=O)C=C(C)C(C)=C1[N+]([O-])=O

Synthesis

  • Route1
    • null|null
      95-65-8
    • ~58%
    • null|null
      32590-94-6
    • 3,4-Dimethyl-2,6-dinitrophenol|CS-0118650
      4097-61-4
    • null|null
      125065-84-1

    References

    • Hartshorn, Michael P.; Judd, Maurice C.; Vannoort, Richard W.; Wright, Graeme J. Australian Journal of Chemistry, 1989 , vol. 42, # 5 p. 689 - 697
  • Route2
    • null|null
      32590-94-6
    • ~12%
    • 3,4-Dimethyl-2,6-dinitrophenol|CS-0118650
      4097-61-4
    • null|null
      125065-84-1

    References

    • Hartshorn, Michael P.; Judd, Maurice C.; Vannoort, Richard W.; Wright, Graeme J. Australian Journal of Chemistry, 1989 , vol. 42, # 5 p. 689 - 697
  • Route3
    • null|null
      95-65-8
    • ~%
    • null|null
      3114-62-3
    • 3,4-Dimethyl-2,6-dinitrophenol|CS-0118650
      4097-61-4

    References

    • Mueller; Pelton Journal of the American Chemical Society, 1949 , vol. 71, p. 1504

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-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   106.51
  • LogP   1.82544
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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