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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 22776-09-6

  • Cat. No. CS-0464845
  • Purity≥98%
  • 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)ethan-1-one|CS-0464845

Structure of 22776-09-6

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General Information

  • CAS No. 22776-09-6
  • Cat. No. CS-0464845
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) 7-Acetyl-3,4-Dihydro-1,5-Benzodioxepin
  • SMILES CC(=O)C1=CC2=C(C=C1)OCCCO2

Synthesis

  • Route1

    References

    • Huang, Wei-Bin; Guo, Ying; Jiang, Jian-An; Pan, Xian-Dao; Liao, Dao-Hua; Ji, Ya-Fei Synlett, 2013 , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746
  • Route2

    References

    • Huang, Wei-Bin; Guo, Ying; Jiang, Jian-An; Pan, Xian-Dao; Liao, Dao-Hua; Ji, Ya-Fei Synlett, 2013 , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746
  • Route3
    • null|null
      120-80-9
    • ~%
    • 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethan-1-one|CS-0464845
      22776-09-6

    References

    • Synlett, , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.0505
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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