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CS-W001157 4
Total: USD 88.00

3-Bromo-5-(methoxycarbonyl)benzoic acid

  • CAS No. 161796-10-7

  • Cat. No. CS-W003344
  • Purity≥95%
  • MDL No.MFCD06797598

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

3-Bromo-5-(methoxycarbonyl)benzoic acid|CS-W003344

Structure of 161796-10-7

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General Information

  • CAS No. 161796-10-7
  • Cat. No. CS-W003344
  • Purity ≥95%
  • MDL No. MFCD06797598
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrO₄
  • Molecular Weight 259.05
  • Synonym(s) 5-TERT-BUTYL METHYLISOPHTHALATE
  • SMILES COC(C1=CC(Br)=CC(C(O)=O)=C1)=O

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2006/99352 A1, 2006 ; Location in patent: Page/Page column 41 ; WO 2006/099352 A1
  • Route2

    References

    • MEDIVIR AB; LUNDBERG, Stina; AYESA, Susana; BELDA, Oscar; DORANGE, Ismet; ERSMARK, Karolina; HAMMER, Kristin; JOHANSSON, Per-Ola; LINDSTROeM, Stefan; ROSENQUIST, Aasa; SAMUELSSON, Bertil; BAeCK, Marcus; KVARNSTROeM, Ingemar; WAaNGSELL, Fredrik; BJOeRKLUND, Katarina Patent: WO2010/42030 A1, 2010 ; Location in patent: Page/Page column 66 ; WO 2010/042030 A1
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 125, # 34 p. 10241 - 10249

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   63.6
  • LogP   1.9339
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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