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CS-W001157 4
Total: USD 88.00

2,5-Dimethyl-4-nitrobenzoic acid

  • CAS No. 6954-70-7

  • Cat. No. CS-0161514
  • Purity≥98%
  • MDL No.MFCD00086153

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

2,5-Dimethyl-4-nitrobenzoic acid|CS-0161514

Structure of 6954-70-7

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General Information

  • CAS No. 6954-70-7
  • Cat. No. CS-0161514
  • Purity ≥98%
  • MDL No. MFCD00086153
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 2,5-diMethyl-4-nitrobenzoicacid
  • SMILES O=C(O)C1=CC(C)=C([N+]([O-])=O)C=C1C

Synthesis

  • Route1
    • 2,5-Dimethyl-4-nitrobenzonitrile|CS-0455395
      73713-69-6
    • ~%
    • In-stock
      2,5-Dimethyl-4-nitrobenzoic acid|CS-0161514
      6954-70-7

    References

    • Fisher; Walling Journal of the American Chemical Society, 1935 , vol. 57, p. 1700
  • Route2

    References

    • Fisher; Walling Journal of the American Chemical Society, 1935 , vol. 57, p. 1700

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.90984
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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