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CS-W001157 4
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3,4-Dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

  • CAS No. 5118-94-5

  • Cat. No. CS-0085138
  • Molecule weight176.17
  • Purity≥98%
  • MDL No.MFCD00111349

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

3,4-Dihydro-1H-benzo[e][1,4]diazepine-2,5-dione|CS-0085138

Structure of 5118-94-5

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General Information

  • CAS No. 5118-94-5
  • Cat. No. CS-0085138
  • Purity ≥98%
  • MDL No. MFCD00111349
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 3,4-Dihydro-1H-1,4-benzodiazepine-2,5-dione
  • SMILES O=C(NCC(N1)=O)C2=C1C=CC=C2

Synthesis

  • Route1

    References

    • Jadidi, Khosrow; Aryan, Reza; Mehrdad, Morteza; Luegger, Thomas; Ekkehardt Hahn; Ng, Seik Weng Journal of Molecular Structure, 2004 , vol. 692, # 1-3 p. 37 - 42
  • Route2
    • null|null
      121732-71-6
    • ~63%
    • In-stock
      3,4-Dihydro-1H-benzo[e][1,4]diazepine-2,5-dione|CS-0085138
      5118-94-5

    References

    • Akssira; Boumzebra; Kasmi; Dahdouh; Roumestant; Viallefont Tetrahedron, 1994 , vol. 50, # 30 p. 9051 - 9060
  • Route3

    References

    • METHYLGENE INC. Patent: WO2007/22638 A1, 2007 ; Location in patent: Page/Page column 81; 83 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319-H351-H361
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   58.2
  • LogP   0.3685
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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