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CS-W001157 4
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2-Amino-3-bromo-5-methylbenzoic acid

  • CAS No. 13091-43-5

  • Cat. No. CS-W012966
  • Purity≥95%
  • MDL No.MFCD00051705

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

2-Amino-3-bromo-5-methylbenzoic acid|CS-W012966

Structure of 13091-43-5

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General Information

  • CAS No. 13091-43-5
  • Cat. No. CS-W012966
  • Purity ≥95%
  • MDL No. MFCD00051705
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO₂
  • Molecular Weight 230.06
  • Synonym(s) 6-Amino-5-bromo-m-toluic Acid
  • SMILES O=C(O)C1=CC(C)=CC(Br)=C1N

Synthesis

  • Route1

    References

    • Clews, John; Curtis, Anthony D.M.; Malkin, Hugh Tetrahedron, 2000 , vol. 56, # 44 p. 8735 - 8746
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 4 p. 1270 - 1274
  • Route3
    • 7-Bromo-5-methylindoline-2,3-dione|CS-0310542
      108938-16-5
    • ~63%
    • In-stock
      2-Amino-3-bromo-5-methylbenzoic acid|CS-W012966
      13091-43-5

    References

    • Ghisalberti, Emilio L.; Jefferies, Phillip R.; Mori, Trevor A.; Skelton, Brian W.; White, Allan H.; Whiteside, Nola J. Journal of Chemical Research, Miniprint, 1993 , # 12 p. 3155 - 3172

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   2.03792
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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