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CS-W001157 4
Total: USD 88.00

2-Isopropyl-6-nitroaniline

  • CAS No. 79858-67-6

  • Cat. No. CS-0137645
  • Molecule weight180.20
  • Purity≥98%
  • MDL No.None

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

2-Isopropyl-6-nitroaniline|CS-0137645

Structure of 79858-67-6

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General Information

  • CAS No. 79858-67-6
  • Cat. No. CS-0137645
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₂
  • Molecular Weight 180.20
  • Synonym(s) 2-Nitro-6-(propan-2-yl)aniline
  • SMILES CC(C)C1=CC=CC([N+]([O-])=O)=C1N

Description

2-Isopropyl-6-nitroaniline features a nitro group at the para position relative to the isopropyl substituent, creating an electron-deficient aromatic ring ideal for nucleophilic substitution. The isopropyl moiety enhances solubility and steric profile, enabling its use in pharmaceutical intermediates and agrochemical synthesis under standard conditions.

Application

2-Isopropyl-6-nitroaniline serves as a valuable intermediate in the synthesis of functionalized aromatic scaffolds, enabling direct introduction of nitro and isopropyl groups for downstream transformations. Its stability under standard reaction conditions facilitates selective reduction to amino derivatives, while the ortho-nitro substitution pattern supports efficient coupling reactions and heterocycle formation. The molecule exhibits good solubility and ease of purification, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   2.3004
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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