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CS-W001157 4
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5-Nitro-3,4-dihydro-2H-naphthalen-1-one

  • CAS No. 51114-73-9

  • Cat. No. CS-0060664
  • Molecule weight191.18
  • Purity≥98%
  • MDL No.None

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

5-Nitro-3,4-dihydro-2H-naphthalen-1-one|CS-0060664

Structure of 51114-73-9

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General Information

  • CAS No. 51114-73-9
  • Cat. No. CS-0060664
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) 5-nitro-3,4-dihydronaphthalen-1(2H)-one
  • SMILES C1=CC2=C(CCCC2=O)C(=C1)[N+](=O)[O-]

Description

5-Nitro-3,4-dihydro-2H-naphthalen-1-one features a fused bicyclic core with a nitro group at the 5-position, enhancing electron deficiency and reactivity. This bench-stable ketone integrates readily into synthetic routes for functionalized naphthalene derivatives, serving as a key intermediate in pharmaceutical and materials chemistry applications.

Application

5-Nitro-3,4-dihydro-2H-naphthalen-1-one serves as a versatile synthetic intermediate in the construction of functionalized naphthalene scaffolds. Its electron-deficient aromatic core and strategically positioned nitro and carbonyl groups enable selective transformations, including nucleophilic substitutions and transition-metal-catalyzed couplings. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

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
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   60.21
  • LogP   2.1138
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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