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CS-W001157 4
Total: USD 88.00

3-Bromo-4-cyanobenzoic acid

  • CAS No. 58123-69-6

  • Cat. No. CS-0208693
  • Molecule weight226.03
  • Purity≥98%
  • MDL No.MFCD09261042

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

3-Bromo-4-cyanobenzoic acid|CS-0208693

Structure of 58123-69-6

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General Information

  • CAS No. 58123-69-6
  • Cat. No. CS-0208693
  • Purity ≥98%
  • MDL No. MFCD09261042
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrNO₂
  • Molecular Weight 226.03
  • Synonym(s) 3-Bromo-4-cyanobenzoicAcid
  • SMILES C1=CC(=C(C=C1C(=O)O)Br)C#N

Synthesis

  • Route1

    References

    • Wyeth Patent: US2005/282825 A1, 2005 ; Location in patent: Page/Page column 8 ; US 20050282825 A1

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-P330-P362+P364-P405-P501

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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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