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CS-W001157 4
Total: USD 88.00

3-Bromo-5-cyanobenzoic acid

  • CAS No. 453566-14-8

  • Cat. No. CS-0041933
  • Purity≥97%
  • MDL No.MFCD09261037

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

3-Bromo-5-cyanobenzoic acid|CS-0041933

Structure of 453566-14-8

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General Information

  • CAS No. 453566-14-8
  • Cat. No. CS-0041933
  • Purity ≥97%
  • MDL No. MFCD09261037
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrNO₂
  • Molecular Weight 226.03
  • Synonym(s) Benzoic acid,3-bromo-5-cyano
  • SMILES OC(=O)C1=CC(Br)=CC(=C1)C#N

Synthesis

  • Route1

    References

    • WO2013/37705 A2, ; Page/Page column 139 ; WO 2013/037705 A2
  • Route2

    References

    • WO2013/37705 A2, ; WO 2013/037705 A2
  • Route3

    References

    • WO2013/37705 A2, ; WO 2013/037705 A2

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   2.01898
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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