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CS-W001157 4
Total: USD 88.00

2,6-Dichloro-3-nitrobenzonitrile

  • CAS No. 5866-98-8

  • Cat. No. CS-0099432
  • Purity≥97%
  • MDL No.MFCD00051513

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

2,6-Dichloro-3-nitrobenzonitrile|CS-0099432

Structure of 5866-98-8

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General Information

  • CAS No. 5866-98-8
  • Cat. No. CS-0099432
  • Purity ≥97%
  • MDL No. MFCD00051513
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂Cl₂N₂O₂
  • Molecular Weight 217.01
  • Synonym(s) 2,6-Dichlor-3-nitrobenzolcarbonitril
  • SMILES N#CC1=C(C=CC([N+]([O-])=O)=C1Cl)Cl

Description

2,6-Dichloro-3-nitrobenzonitrile features a trifunctional aromatic core with electron-withdrawing chlorine and nitro groups flanking a nitrile moiety. This combination imparts high electrophilicity, enabling efficient coupling in cross-coupling reactions. The compound exhibits bench-stable handling characteristics and delivers consistent reactivity under standard conditions.

Application

2,6-Dichloro-3-nitrobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of substituted heterocycles via nucleophilic aromatic substitution. The dichloro and nitro groups provide orthogonal reactivity for sequential functionalization, while the nitrile group offers a handle for downstream transformations. Bench-stable and compatible with standard reaction conditions, it facilitates rapid diversification in lead optimization campaigns.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-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   66.93
  • LogP   2.77328
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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