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CS-W001157 4
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6-Chloroisobenzofuran-1(3H)-one

  • CAS No. 19641-29-3

  • Cat. No. CS-0156843
  • Molecule weight168.58
  • Purity≥97%
  • MDL No.MFCD04108605

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

6-Chloroisobenzofuran-1(3H)-one|CS-0156843

Structure of 19641-29-3

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General Information

  • CAS No. 19641-29-3
  • Cat. No. CS-0156843
  • Purity ≥97%
  • MDL No. MFCD04108605
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClO₂
  • Molecular Weight 168.58
  • Synonym(s) 6-Chloro-3H-isobenzofuran-1-one
  • SMILES C1=CC(=CC2=C1COC2=O)Cl

Synthesis

  • Route1
    • In-stock
      3-Chlorobenzoic acid|CS-0015123
      535-80-8
    • null|null
      74-95-3
    • ~75%
    • In-stock
      6-Chloroisobenzofuran-1(3H)-one|CS-0156843
      19641-29-3

    References

    • Zhang, Yang-Hui; Shi, Bing-Feng; Yu, Jin-Quan Angewandte Chemie, International Edition, 2009 , vol. 48, # 33 p. 6097 - 6100 Angewandte Chemie, 2009 , vol. 121, # 33 p. 6213 - 6216
  • Route2

    References

    • Pokhodylo; Matiychuk; Obushak Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 2 p. 140 - 145
  • Route3

    References

    • Leblois, Danielle; Piessard, Sylvie; Baut, Guillaume Le; Kumar, Piyush; Brion, Jean-Daniel; et al. European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 229 - 238

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0104
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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