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CS-W001157 4
Total: USD 88.00

Ethyl 5-nitro-1H-indole-2-carboxylate

  • CAS No. 16732-57-3

  • Cat. No. CS-W006357
  • Purity≥95%
  • MDL No.MFCD00216477

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

Ethyl 5-nitro-1H-indole-2-carboxylate|CS-W006357

Structure of 16732-57-3

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General Information

  • CAS No. 16732-57-3
  • Cat. No. CS-W006357
  • Purity ≥95%
  • MDL No. MFCD00216477
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₄
  • Molecular Weight 234.21
  • Synonym(s) OXALIC ACID MONO-(N-METHYL)-AMIDE
  • SMILES O=C(C(N1)=CC2=C1C=CC([N+]([O-])=O)=C2)OCC

Description

Ethyl 5-nitro-1H-indole-2-carboxylate features a nitro-substituted indole core with a strategically positioned ester group, enabling direct functionalization in heterocyclic synthesis. The electron-deficient aromatic system enhances reactivity in cross-coupling and cycloaddition reactions, while the ethyl ester facilitates subsequent hydrolysis or derivatization. This compound serves as a key intermediate in the development of bioactive nitrogen-containing scaffolds.

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   85.23
  • LogP   2.2528
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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