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CS-W001157 4
Total: USD 88.00

2-Bromo-6-methoxyisonicotinic acid

  • CAS No. 853029-93-3

  • Cat. No. CS-W006872
  • Purity≥98%
  • MDL No.MFCD11101033

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

2-Bromo-6-methoxyisonicotinic acid|CS-W006872

Structure of 853029-93-3

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General Information

  • CAS No. 853029-93-3
  • Cat. No. CS-W006872
  • Purity ≥98%
  • MDL No. MFCD11101033
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrNO₃
  • Molecular Weight 232.03
  • Synonym(s) 2-BROMO-6-METHOXY-4-PYRIDINECARBOXYLIC ACID
  • SMILES COC1=CC(=CC(Br)=N1)C(O)=O

Synthesis

  • Route1
    • null|null
      124-41-4
    • In-stock
      Methyl 2,6-dibromoisonicotinate|CS-0049187
      119308-57-5
    • ~%
    • In-stock
      2-Bromo-6-methoxyisonicotinic acid|CS-W006872
      853029-93-3

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; FRANK, Markus; HAEBERLE, Hans; HENRY, Manuel; PACHUR, Thorsten; SANTAGOSTINO, Marco; STERTZ, Uwe; TREBING, Thomas; WERTHMANN, Ulrike Patent: WO2012/45803 A1, 2012 ; Location in patent: Page/Page column 32-33 ; WO 2012/045803 A1
  • Route2

    References

    • Bowman, W. Russell; Cloonan, Martin O.; Fletcher, Anthony J.; Stein, Tobias Organic and Biomolecular Chemistry, 2005 , vol. 3, # 8 p. 1460 - 1467

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   59.42
  • LogP   1.5509
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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