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CS-W001157 4
Total: USD 88.00

(1-Nitroethyl)benzene

  • CAS No. 7214-61-1

  • Cat. No. CS-0204469
  • Purity≥97%
  • MDL No.MFCD00156303

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

(1-Nitroethyl)benzene|CS-0204469

Structure of 7214-61-1

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General Information

  • CAS No. 7214-61-1
  • Cat. No. CS-0204469
  • Purity ≥97%
  • MDL No. MFCD00156303
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₂
  • Molecular Weight 151.16
  • Synonym(s) 1-Nitroethylbenzene
  • SMILES O=[N+](C(C)C1=CC=CC=C1)[O-]

Description

(1-Nitroethyl)benzene features a nitro-substituted ethyl linker attached to an aromatic ring, delivering a stable, electron-deficient handle for synthetic transformations. This compound integrates readily into C–C bond-forming sequences and serves as a key intermediate in the synthesis of functionalized alkylated aromatics under standard conditions.

Application

(1-Nitroethyl)benzene serves as a versatile synthetic intermediate for the construction of functionalized alkylated aromatic systems. Its nitro group enables subsequent transformations including reduction to the corresponding amine, electrophilic substitution at the benzylic position, and participation in Mannich-type reactions. The molecule exhibits good bench stability and is compatible with standard purification techniques, facilitating its use in multi-step syntheses of heterocyclic scaffolds and pharmaceutical building blocks.

Safety Information

Download SDS
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   43.14
  • LogP   2.0243
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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