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CS-W001157 4
Total: USD 88.00

1-(4-Nitrophenyl)ethan-1-ol

  • CAS No. 6531-13-1

  • Cat. No. CS-0099979
  • Purity≥98%
  • MDL No.MFCD00024762

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

1-(4-Nitrophenyl)ethan-1-ol|CS-0099979

Structure of 6531-13-1

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General Information

  • CAS No. 6531-13-1
  • Cat. No. CS-0099979
  • Purity ≥98%
  • MDL No. MFCD00024762
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) 1-(4-Nitrophenyl)ethanol
  • SMILES CC(O)C1=CC=C([N+]([O-])=O)C=C1

Description

1-(4-Nitrophenyl)ethan-1-ol features a para-nitro aryl group conjugated to a benzylic alcohol, delivering enhanced solubility and stability under standard conditions. This electron-deficient aromatic system enables efficient coupling reactions in synthetic workflows. The hydroxyl moiety serves as a direct handle for derivatization, including esterification and ether formation.

Application

1-(4-Nitrophenyl)ethan-1-ol serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aryl derivatives. Its bench-stable nature and compatibility with standard reduction protocols facilitate the selective conversion of the nitro group to an amino functionality. The alcohol moiety supports further derivatization via esterification or oxidation, making it valuable for constructing heterocyclic scaffolds and pharmaceutical intermediates under routine laboratory conditions.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.6481
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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