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CS-W001157 4
Total: USD 88.00

9-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-one

  • CAS No. 141106-24-3

  • Cat. No. CS-0217558
  • Molecule weight196.63
  • Purity95+%
  • MDL No.None

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

9-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-one|CS-0217558

Structure of 141106-24-3

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General Information

  • CAS No. 141106-24-3
  • Cat. No. CS-0217558
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClO₂
  • Molecular Weight 196.63
  • Synonym(s) 9-Chloro-3,4-dihydro-1-benzoxepin-5(2H)-one
  • SMILES O=C1CCCOC2=C(Cl)C=CC=C12

Synthesis

  • Route1
    • 4-(2-Chlorophenoxy)butanoic acid|CS-0252515
      5057-52-3
    • ~34%
    • 9-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-one|CS-0217558
      141106-24-3

    References

    • Nioche, J. Y.; Decerprit, J.; Festal, D. European Journal of Medicinal Chemistry, 1995 , vol. 30, # 5 p. 377 - 386
  • Route2
    • null|null
      95-57-8
    • ~%
    • 9-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-one|CS-0217558
      141106-24-3

    References

    • Nioche, J. Y.; Decerprit, J.; Festal, D. European Journal of Medicinal Chemistry, 1995 , vol. 30, # 5 p. 377 - 386

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.6953
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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