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CS-W001157 4
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4-(Chloromethyl)-6,7-dihydroxy-2H-1-benzopyran-2-one

  • CAS No. 85029-91-0

  • Cat. No. CS-0220211
  • Purity≥97%
  • MDL No.MFCD03987203

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

4-(Chloromethyl)-6,7-dihydroxy-2H-1-benzopyran-2-one|CS-0220211

Structure of 85029-91-0

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General Information

  • CAS No. 85029-91-0
  • Cat. No. CS-0220211
  • Purity ≥97%
  • MDL No. MFCD03987203
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClO₄
  • Molecular Weight None
  • Synonym(s) 4-(Chloromethyl)-6,7-dihydroxy-2-benzopyrone
  • SMILES C1=C(CCl)C2=C(C=C(C(=C2)O)O)OC1=O

Synthesis

  • Route1

    References

    • Hanshaw, Roger G.; Hilkert, Sarah M.; Jiang, Hua; Smith, Bradley D. Tetrahedron Letters, 2004 , vol. 45, # 47 p. 8721 - 8724
  • Route2

    References

    • Sokmen, Bahar Bilgin; Aydin, Gulsah; Gumus, Arzu; Karadeniz, Seref; Ugras, Halil Ibrahim; Yanardag, Refiye; Cakir, Umit Journal of Enzyme Inhibition and Medicinal Chemistry, 2013 , vol. 28, # 4 p. 870 - 875

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P310-P312-P330-P332+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   70.67
  • LogP   1.943
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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