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CS-W001157 4
Total: USD 88.00

Isopropyl 4-nitrobenzoate

  • CAS No. 13756-40-6

  • Cat. No. CS-0334292
  • Molecule weight209.20
  • Purity≥97%
  • MDL No.None

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

Isopropyl 4-nitrobenzoate|CS-0334292

Structure of 13756-40-6

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General Information

  • CAS No. 13756-40-6
  • Cat. No. CS-0334292
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₄
  • Molecular Weight 209.20
  • Synonym(s) Benzoic acid, 4-nitro-, 1-methylethyl ester
  • SMILES CC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • In-stock
      4-Nitrobenzaldehyde|CS-W007577
      555-16-8
    • null|null
      67-63-0
    • ~97%
    • In-stock
      Isopropyl 4-nitrobenzoate|CS-0334292
      13756-40-6

    References

    • Yamada, Sachiko; Morizono, Daisuke; Yamamoto, Keiko Tetrahedron Letters, 1992 , vol. 33, # 30 p. 4329 - 4332
  • Route2
    • null|null
      201230-82-2
    • null|null
      67-63-0
    • null|null
      586-78-7
    • ~72%
    • In-stock
      Isopropyl 4-nitrobenzoate|CS-0334292
      13756-40-6

    References

    • McNulty, James; Nair, Jerald J.; Sliwinski, Marcin; Robertson, Al J. Tetrahedron Letters, 2009 , vol. 50, # 20 p. 2342 - 2346
  • Route3
    • null|null
      67-63-0
    • In-stock
      4-Nitrobenzoic acid|CS-W020075
      62-23-7
    • ~93%
    • In-stock
      Isopropyl 4-nitrobenzoate|CS-0334292
      13756-40-6

    References

    • Bergbreiter, David E.; Yang, Yun-Chin; Hobbs, Christopher E. Journal of Organic Chemistry, 2011 , vol. 76, # 16 p. 6912 - 6917

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.16
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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