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CS-W001157 4
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1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)propan-1-one

  • CAS No. 111038-94-9

  • Cat. No. CS-0163576
  • Molecule weight206.24
  • Purity≥97%
  • MDL No.None

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

1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)propan-1-one|CS-0163576

Structure of 111038-94-9

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General Information

  • CAS No. 111038-94-9
  • Cat. No. CS-0163576
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃
  • Molecular Weight 206.24
  • Synonym(s) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one
  • SMILES CCC(C1=CC=C(OCCCO2)C2=C1)=O

Synthesis

  • Route1

    References

    • Daukshas, V. K.; Gaidyalis, P. G.; Udrenaite, E. B.; Labanauskas, L. K.; Gasperavichene, G. A.; et al. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 12 p. 990 - 995 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 12 p. 1466 - 1470

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.4406
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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