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CS-W001157 4
Total: USD 88.00

1-Isopropoxy-4-nitrobenzene

  • CAS No. 26455-31-2

  • Cat. No. CS-0159887
  • Purity≥98%
  • MDL No.MFCD01327671

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

1-Isopropoxy-4-nitrobenzene|CS-0159887

Structure of 26455-31-2

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General Information

  • CAS No. 26455-31-2
  • Cat. No. CS-0159887
  • Purity ≥98%
  • MDL No. MFCD01327671
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) Isopropyl 4-Nitrophenyl Ether
  • SMILES O=[N+](C1=CC=C(OC(C)C)C=C1)[O-]

Description

1-Isopropoxy-4-nitrobenzene is a bench-stable, electron-deficient aromatic compound featuring a para-nitro group and a sterically accessible isopropoxy substituent. This combination enables efficient coupling in cross-coupling reactions and facilitates selective functionalization in synthetic workflows.

Application

1-Isopropoxy-4-nitrobenzene serves as a versatile aryl building block in synthetic organic chemistry, enabling efficient nitro group-directed functionalization via palladium-catalyzed cross-coupling. The isopropoxy group provides steric and electronic modulation while maintaining bench stability and compatibility with standard purification methods. Its defined regiochemistry facilitates predictable reactivity in multi-step synthesis, particularly for heterocyclic systems and pharmaceutical intermediates requiring controlled substitution patterns.

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   2.382
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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