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CS-W001157 4
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4-Methyl-7-nitro-1H-indazole

  • CAS No. 104103-06-2

  • Cat. No. CS-0131048
  • Purity≥98%
  • MDL No.MFCD08689688

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

4-Methyl-7-nitro-1H-indazole|CS-0131048

Structure of 104103-06-2

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General Information

  • CAS No. 104103-06-2
  • Cat. No. CS-0131048
  • Purity ≥98%
  • MDL No. MFCD08689688
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃O₂
  • Molecular Weight 177.16
  • Synonym(s) 4-Methyl-7-nitro 1H-indazole
  • SMILES O=[N+](C1=CC=C(C)C2=C1NN=C2)[O-]

Description

4-Methyl-7-nitro-1H-indazole is a bench-stable, electron-deficient heterocycle featuring a nitro group at the 7-position and a methyl substituent at the 4-position. This combination enhances regioselectivity in cross-coupling reactions and improves solubility in polar organic solvents. The compound serves as a key scaffold in medicinal chemistry for developing kinase inhibitors and bioactive small molecules.

Application

4-Methyl-7-nitro-1H-indazole serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the indazole core due to its complementary electron-withdrawing nitro group and methyl substituent. The nitro group facilitates subsequent reduction to amine intermediates or participates in coupling reactions, while the methyl group provides a handle for selective oxidation or C–H activation. Bench-stable and compatible with standard purification methods, it functions effectively in multistep syntheses of bioactive heterocycles and API candidates.

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319-H351-H360
Precautionary Statements : P264-P270-P280-P330-P405-P501

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Computational Chemistry Data

  • TPSA   71.82
  • LogP   1.77952
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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