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CS-W001157 4
Total: USD 88.00

3-Bromophthalic acid

  • CAS No. 116-69-8

  • Cat. No. CS-0039104
  • Purity≥98%
  • MDL No.MFCD17069368

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

3-Bromophthalic acid|CS-0039104

Structure of 116-69-8

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General Information

  • CAS No. 116-69-8
  • Cat. No. CS-0039104
  • Purity ≥98%
  • MDL No. MFCD17069368
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrO₄
  • Molecular Weight 245.03
  • Synonym(s) None
  • SMILES C1=CC(=C(C(=C1)Br)C(=O)O)C(=O)O

Synthesis

  • Route1

    References

    • Muller, George W.; Chen, Roger Shen-Chu; Man, Hon-Wah; Ruchelman, Alexander L. Patent: US2007/49618 A1, 2007 ; Location in patent: Page/Page column 70 ;
  • Route2
    • null|null
      576-23-8
    • ~35%
    • In-stock
      3-Bromophthalic acid|CS-0039104
      116-69-8

    References

    • Soucy, C.; Favreau, D.; Kayser, M. M. Journal of Organic Chemistry, 1987 , vol. 52, # 1 p. 129 - 134
  • Route3
    • null|null
      526-75-0
    • ~%
    • In-stock
      3-Bromophthalic acid|CS-0039104
      116-69-8

    References

    • Journal of Organic Chemistry, , vol. 52, # 1 p. 129 - 134

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.8455
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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