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7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

  • CAS No. 22246-45-3

  • Cat. No. CS-0004302
  • Purity≥97%
  • MDL No.MFCD00985061

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

7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one|CS-0004302

Structure of 22246-45-3

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General Information

  • CAS No. 22246-45-3
  • Cat. No. CS-0004302
  • Purity ≥97%
  • MDL No. MFCD00985061
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₃
  • Molecular Weight 206.20
  • Synonym(s) 7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE
  • SMILES O=C1NC2=CC=C([N+]([O-])=O)C=C2CCC1

Synthesis

  • Route1

    References

    • Tomasi, Sophie; Renault, Jacques; Martin, Benedicte; Duhieu, Stephane; Cerec, Virginie; Le Roch, Myriam; Uriac, Philippe; Delcros, Jean-Guy Journal of Medicinal Chemistry, 2010 , vol. 53, # 21 p. 7647 - 7663
  • Route2
    • null|null
      740842-78-8
    • ~80%
    • In-stock
      7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one|CS-0004302
      22246-45-3

    References

    • WARNER-LAMBERT COMPANY LLC Patent: WO2004/69244 A1, 2004 ; Location in patent: Page/Page column 104 ;
  • Route3
    • In-stock
      1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one|CS-D0727
      4424-80-0
    • ~61%
    • In-stock
      7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one|CS-0004302
      22246-45-3
    • 8-Nitro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one|CS-0004300
      22246-79-3

    References

    • Osadchii, S. A.; Kochubei, N. V. Russian Journal of Applied Chemistry, 1994 , vol. 67, # 11.2 p. 1674 - 1676 Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1994 , vol. 67, # 11 p. 1909 - 1911

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   72.24
  • LogP   1.8696
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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