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CS-W001157 4
Total: USD 88.00

3,4-Dimethyl-2-nitrobenzoic acid

  • CAS No. 4315-13-3

  • Cat. No. CS-0332308
  • Purity≥96%
  • MDL No.None

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

3,4-Dimethyl-2-nitrobenzoic acid|CS-0332308

Structure of 4315-13-3

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General Information

  • CAS No. 4315-13-3
  • Cat. No. CS-0332308
  • Purity ≥96%
  • 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) 3,4-DIMETHYL-2-NITRO-BENZOIC 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
    • null|null
      49666-83-3
    • ~%
    • 3,4-Dimethyl-2-nitrobenzoic acid|CS-0332308
      4315-13-3

    References

    • Braendstroem,A.; Carlsson,A.I. Acta Chemica Scandinavica (1947-1973), 1967 , vol. 21, p. 983 - 992
  • Route3
    • null|null
      95-47-6
    • ~%
    • 3,4-Dimethyl-2-nitrobenzoic acid|CS-0332308
      4315-13-3

    References

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

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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