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CS-W001157 4
Total: USD 88.00

2-Nitro-1,3-benzenedicarboxylic acid

  • CAS No. 21161-11-5

  • Cat. No. CS-D1110
  • Purity≥98%
  • MDL No.MFCD00017007

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

2-Nitro-1,3-benzenedicarboxylic acid|CS-D1110

Structure of 21161-11-5

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General Information

  • CAS No. 21161-11-5
  • Cat. No. CS-D1110
  • Purity ≥98%
  • MDL No. MFCD00017007
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₆
  • Molecular Weight 211.13
  • Synonym(s) 2-Nitroisophthalic acid
  • SMILES O=C(C1=CC=CC(C(O)=O)=C1[N+]([O-])=O)O

Description

Nalpha, Nepsilon-Di-Boc-L-lysine is used as fine chemical intermediate, synthesis intermediates.

Application

2-Nitro-1,3-benzenedicarboxylic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds and functionalized aromatic systems. Its ortho-dicarboxylic acid framework provides two orthogonal handles for derivatization, while the nitro group offers a readily reducible, electron-withdrawing moiety compatible with standard catalytic hydrogenation and coupling protocols. The compound exhibits good bench stability and facilitates purification via recrystallization, making it well-suited for use in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      81-20-9
    • ~73%
    • In-stock
      2-Nitro-1,3-benzenedicarboxylic acid|CS-D1110
      21161-11-5

    References

    • Wang, Qiao-Chun; Qu, Da-Hui; Ren, Jun; Chen, Kongchang; Tian, He Angewandte Chemie - International Edition, 2004 , vol. 43, # 20 p. 2661 - 2665
  • Route2
    • null|null
      5437-38-7
    • ~%
    • In-stock
      2-Nitro-1,3-benzenedicarboxylic acid|CS-D1110
      21161-11-5

    References

    • Chemische Berichte, , vol. 39, p. 73
  • Route3
    • null|null
      99-12-7
    • null|null
      7697-37-2
    • ~%
    • In-stock
      2-Nitro-1,3-benzenedicarboxylic acid|CS-D1110
      21161-11-5
    • In-stock
      3-Methyl-5-nitrobenzoic acid|CS-W021965
      113882-33-0

    References

    • Chemische Berichte, , vol. 42, p. 433

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   117.74
  • LogP   0.9912
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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