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4-Chloroisobenzofuran-1(3H)-one

  • CAS No. 52010-22-7

  • Cat. No. CS-0131580
  • Molecule weight168.58
  • Purity≥98%
  • MDL No.MFCD01718133

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

4-Chloroisobenzofuran-1(3H)-one|CS-0131580

Structure of 52010-22-7

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General Information

  • CAS No. 52010-22-7
  • Cat. No. CS-0131580
  • Purity ≥98%
  • MDL No. MFCD01718133
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClO₂
  • Molecular Weight 168.58
  • Synonym(s) 4-Chlorophthalide
  • SMILES O=C1OCC2=C1C=CC=C2Cl

Synthesis

  • Route1

    References

    • Nikulin, V. I.; Pisarenko, L. M. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1985 , vol. 34, # 1 p. 141 - 144 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1985 , # 1 p. 151 - 155
  • Route2

    References

    • Wang, Wei; Cha, Xue-Xiang; Reiner, John; Gao, Yuan; Qiao, Hai-Ling; Shen, Jia-Xiang; Chang, Jun-Biao European Journal of Medicinal Chemistry, 2010 , vol. 45, # 5 p. 1941 - 1946
  • Route3
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    References

    • Soucy, C.; Favreau, D.; Kayser, M. M. Journal of Organic Chemistry, 1987 , vol. 52, # 1 p. 129 - 134

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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