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CS-W001157 4
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6-Bromo-4-oxochromene-3-carbonitrile

  • CAS No. 52817-13-7

  • Cat. No. CS-0206861
  • Purity≥97%
  • MDL No.MFCD00191842

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

6-Bromo-4-oxochromene-3-carbonitrile|CS-0206861

Structure of 52817-13-7

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General Information

  • CAS No. 52817-13-7
  • Cat. No. CS-0206861
  • Purity ≥97%
  • MDL No. MFCD00191842
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₄BrNO₂
  • Molecular Weight 250.05
  • Synonym(s) 6-Bromo-4-oxo-4H-1-benzopyran-3-carbonitrile
  • SMILES C1=CC2=C(C=C1Br)C(=O)C(=CO2)C#N

Synthesis

  • Route1

    References

    • Warner-Lambert Company Patent: US3937837 A1, 1976 ;

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   54
  • LogP   2.42718
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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