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CS-W001157 4
Total: USD 88.00

NSC 1411

  • CAS No. 5334-40-7

  • Cat. No. CS-D1132
  • Purity≥98%
  • MDL No.MFCD00090899

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

NSC 1411|CS-D1132

Structure of 5334-40-7

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General Information

  • CAS No. 5334-40-7
  • Cat. No. CS-D1132
  • Purity ≥98%
  • MDL No. MFCD00090899
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃N₃O₄
  • Molecular Weight 157.08
  • Synonym(s) Pyrazole-3(or 5)-carboxylic acid, 4-nitro- (6CI); Pyrazole-3-carboxylic acid, 4-nitro- (8CI); 4-Nitro-1H-pyrazole-3-carboxylic acid
  • SMILES O=C(C1=NNC=C1[N+]([O-])=O)O

Description

4-Nitro-1H-pyrazole-3-carboxylic acid features a conjugated pyrazole core bearing a nitro group at the para position and a carboxylic acid functionality at C3. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds, offering enhanced solubility and metabolic stability in bioactive compound design.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   109.12
  • LogP   0.0161
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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