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CS-W001157 4
Total: USD 88.00

4,5-Dimethyl-2-nitro-benzoic acid

  • CAS No. 4315-14-4

  • Cat. No. CS-0342907
  • Purity≥97%
  • MDL No.None

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

4,5-Dimethyl-2-nitro-benzoic acid|CS-0342907

Structure of 4315-14-4

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General Information

  • CAS No. 4315-14-4
  • Cat. No. CS-0342907
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 4,5-Dimethyl-2-nitrobenzoic acid
  • SMILES CC1=CC(=C(C=C1C)[N+](=O)[O-])C(=O)O

Synthesis

  • Route1

    References

    • Courtin, Alfred; Tobel, Hans-Rudolf von Helvetica Chimica Acta, 1980 , vol. 63, # 2 p. 385 - 394
  • Route2

    References

    • Braendstroem,A.; Carlsson,A.I. Acta Chemica Scandinavica (1947-1973), 1967 , vol. 21, p. 983 - 992
  • Route3

    References

    • Braendstroem,A.; Carlsson,A.I. Acta Chemica Scandinavica (1947-1973), 1967 , vol. 21, p. 983 - 992

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
Precautionary Statements : P264-P270-P330-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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