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CS-W001157 4
Total: USD 88.00

4-(tert-Butyl)-3-nitrobenzoic acid

  • CAS No. 59719-78-7

  • Cat. No. CS-0071722
  • Purity≥98%
  • MDL No.MFCD00100040

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

4-(tert-Butyl)-3-nitrobenzoic acid|CS-0071722

Structure of 59719-78-7

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General Information

  • CAS No. 59719-78-7
  • Cat. No. CS-0071722
  • Purity ≥98%
  • MDL No. MFCD00100040
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₄
  • Molecular Weight 223.23
  • Synonym(s) 4-Tert-butyl-3-nitrobenzoic acid
  • SMILES [O-][N+](C1=CC(C(O)=O)=CC=C1C(C)(C)C)=O

Synthesis

  • Route1
    • null|null
      34252-92-1
    • ~%
    • In-stock
      4-(tert-Butyl)-3-nitrobenzoic acid|CS-0071722
      59719-78-7

    References

    • Skinner; Zell Journal of the American Chemical Society, 1955 , vol. 77, p. 5441
  • Route2
    • null|null
      19692-45-6
    • ~%
    • In-stock
      4-(tert-Butyl)-3-nitrobenzoic acid|CS-0071722
      59719-78-7

    References

    • Skinner; Zell Journal of the American Chemical Society, 1955 , vol. 77, p. 5441
  • Route3
    • null|null
      70634-25-2
    • ~%
    • In-stock
      4-(tert-Butyl)-3-nitrobenzoic acid|CS-0071722
      59719-78-7

    References

    • Doepp,D.; Brugger,E. Liebigs Annalen der Chemie, 1979 , p. 554 - 563

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.5905
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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