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CS-W001157 4
Total: USD 88.00

4-Fluoro-3-nitrophenol

  • CAS No. 2105-96-6

  • Cat. No. CS-W004934
  • Purity≥97%
  • MDL No.MFCD04038714

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

4-Fluoro-3-nitrophenol|CS-W004934

Structure of 2105-96-6

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General Information

  • CAS No. 2105-96-6
  • Cat. No. CS-W004934
  • Purity ≥97%
  • MDL No. MFCD04038714
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄FNO₃
  • Molecular Weight 157.10
  • Synonym(s) phenol, 4-fluoro-3-nitro-
  • SMILES OC1=CC=C(F)C([N+]([O-])=O)=C1

Description

4-Fluoro-3-nitrophenol features a fluorine atom at the para position and a nitro group at the meta position relative to the hydroxyl, creating a highly electron-deficient aromatic system. This combination enhances reactivity in electrophilic substitution and facilitates coupling reactions under mild conditions. The compound exhibits bench-stable behavior and integrates readily into complex molecular architectures requiring precise electronic tuning.

Application

4-Fluoro-3-nitrophenol serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its ortho-difunctionalized aryl scaffold enables selective coupling reactions, while the nitro group facilitates subsequent reduction to an amine for further derivatization. The fluorine substituent enhances metabolic stability and modulates electronic properties in bioactive molecules. The compound exhibits good bench stability and is compatible with standard purification methods.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H318-H410
Precautionary Statements : P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.4395
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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