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CS-W001157 4
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Ethyl 4-amino-3-bromo-5-cyano-2-hydroxybenzoate

  • CAS No. 85946-11-8

  • Cat. No. CS-0568399
  • Molecule weight285.09
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-amino-3-bromo-5-cyano-2-hydroxybenzoate|CS-0568399

Structure of 85946-11-8

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General Information

  • CAS No. 85946-11-8
  • Cat. No. CS-0568399
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrN₂O₃
  • Molecular Weight 285.09
  • Synonym(s) 4-Amino-3-brom-5-cyan-salicylsaeure-ethylester
  • SMILES O=C(OCC)C1=CC(C#N)=C(N)C(Br)=C1O

Synthesis

  • Route1
    • Ethyl 4-amino-5-cyano-2-hydroxybenzoate|CS-0670881
      72817-97-1
    • ~67%
    • Ethyl 4-amino-3-bromo-5-cyano-2-hydroxybenzoate|CS-0568399
      85946-11-8

    References

    • Schmidt; Dworczak 1986 , vol. 117, # 3 p. 393 - 406

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   96.34
  • LogP   1.78528
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   2

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