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CS-W001157 4
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1,3-Dimethoxy-2-nitrobenzene

  • CAS No. 6665-97-0

  • Cat. No. CS-0206247
  • Purity≥98%
  • MDL No.MFCD00474587

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

1,3-Dimethoxy-2-nitrobenzene|CS-0206247

Structure of 6665-97-0

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General Information

  • CAS No. 6665-97-0
  • Cat. No. CS-0206247
  • Purity ≥98%
  • MDL No. MFCD00474587
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄
  • Molecular Weight 183.16
  • Synonym(s) 2,6-Dimethoxy nitrobenzene
  • SMILES COC1=C(C(=CC=C1)OC)[N+](=O)[O-]

Description

1,3-Dimethoxy-2-nitrobenzene features two methoxy groups flanking a nitro substituent on a benzene ring, creating a polar yet stable scaffold. This electron-deficient aromatic system facilitates efficient coupling reactions and serves as a key building block in medicinal chemistry and agrochemical synthesis.

Application

1,3-Dimethoxy-2-nitrobenzene serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to substituted anilines via reduction. Its electron-deficient aromatic core facilitates electrophilic substitution at the 4- and 6-positions, while the methoxy groups offer orthogonal protection and modulate reactivity. The compound exhibits excellent bench stability, simplifies purification, and functions reliably in standard coupling and functional group interconversion protocols.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   61.6
  • LogP   1.612
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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