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CS-W001157 4
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8-Nitro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

  • CAS No. 22246-79-3

  • Cat. No. CS-0004300
  • Purity≥97%
  • MDL No.MFCD04038691

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

8-Nitro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one|CS-0004300

Structure of 22246-79-3

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General Information

  • CAS No. 22246-79-3
  • Cat. No. CS-0004300
  • Purity ≥97%
  • MDL No. MFCD04038691
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₃
  • Molecular Weight 206.20
  • Synonym(s) CIVENTICHEM CV-4116
  • SMILES O=C1NC2=CC([N+]([O-])=O)=CC=C2CCC1

Synthesis

  • Route1
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      67104-86-3
    • ~%
    • 8-Nitro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one|CS-0004300
      22246-79-3

    References

    • SANOFI; CARRY, Jean-Christophe; CHATREAUX, Fabienne; DEPRETS, Stéphanie; DUCLOS, Olivier; LEROY, Vincent; MALLART, Sergio; MELON-MANGUER, Dominique; MENDEZ-PEREZ, Maria; VERGNE, Fabrice Patent: WO2013/150036 A1, 2013 ; Location in patent: Page/Page column 111 ;
  • Route2

    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
  • Route3

    References

    • US2013/261106 A1, ;

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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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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