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CS-W001157 4
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2-Chloro-5-methoxy-4-nitrophenol

  • CAS No. 100959-51-1

  • Cat. No. CS-0179639
  • Purity≥97%
  • MDL No.MFCD18431954

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

2-Chloro-5-methoxy-4-nitrophenol|CS-0179639

Structure of 100959-51-1

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General Information

  • CAS No. 100959-51-1
  • Cat. No. CS-0179639
  • Purity ≥97%
  • MDL No. MFCD18431954
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO₄
  • Molecular Weight 203.58
  • Synonym(s) 2-chloro-5-methoxy-4-nitro-phenol
  • SMILES OC1=CC(OC)=C([N+]([O-])=O)C=C1Cl

Description

2-Chloro-5-methoxy-4-nitrophenol features a nitro group at the para position relative to the hydroxyl, enhancing electrophilic reactivity. The chloro and methoxy substituents provide orthogonal functional handles for downstream derivatization. This electron-deficient phenolic scaffold enables efficient coupling in cross-coupling and condensation reactions under mild conditions.

Application

2-Chloro-5-methoxy-4-nitrophenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds via nucleophilic aromatic substitution. Its ortho-chloro and para-nitro groups provide complementary reactivity for sequential functionalization, while the phenolic hydroxyl and methoxy substituents offer handle points for derivatization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences in industrial R&D workflows.

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   72.6
  • LogP   1.9624
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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