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CS-W001157 4
Total: USD 88.00

2,4-Dimethyl-5-nitrobenzoic acid

  • CAS No. 220504-75-6

  • Cat. No. CS-W005712
  • Purity≥95%
  • MDL No.MFCD01463419

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

2,4-Dimethyl-5-nitrobenzoic acid|CS-W005712

Structure of 220504-75-6

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General Information

  • CAS No. 220504-75-6
  • Cat. No. CS-W005712
  • Purity ≥95%
  • MDL No. MFCD01463419
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) Benzoic acid, 2,4-dimethyl-5-nitro- (9CI)
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=C(C)C=C1C

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 57, p. 1700
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 19, # 17 p. 5004 - 5008
  • Route3
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      861776-98-9
    • ~%
    • In-stock
      2,4-Dimethyl-5-nitrobenzoic acid|CS-W005712
      220504-75-6

    References

    • Journal of the Chemical Society, , vol. 119, p. 1888

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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