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CS-W001157 4
Total: USD 88.00

Methyl 5-bromonicotinate

  • CAS No. 29681-44-5

  • Cat. No. CS-W007467
  • Purity≥98%
  • MDL No.MFCD00173668

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

Methyl 5-bromonicotinate|CS-W007467

Structure of 29681-44-5

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General Information

  • CAS No. 29681-44-5
  • Cat. No. CS-W007467
  • Purity ≥98%
  • MDL No. MFCD00173668
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrNO₂
  • Molecular Weight 216.03
  • Synonym(s) Methyl-5-bromo-3-pyridincarboxylate; Methyl 5-bromonicotinate
  • SMILES C1=C(C=NC=C1C(OC)=O)Br

Synthesis

  • Route1
    • null|null
      67-56-1
    • 5-Bromonicotinic acid Nicergoline Impurity|CS-0492508
      20826-04-4
    • ~93%
    • In-stock
      Methyl 5-bromonicotinate|CS-W007467
      29681-44-5

    References

    • Dyke, Christopher A.; Bryson, Thomas A. Tetrahedron Letters, 2001 , vol. 42, # 24 p. 3959 - 3961
  • Route2
    • 5-Bromonicotinic acid Nicergoline Impurity|CS-0492508
      20826-04-4
    • null|null
      74-88-4
    • ~64%
    • In-stock
      Methyl 5-bromonicotinate|CS-W007467
      29681-44-5

    References

    • Kyowa Hakko Kirin Co., Ltd. Patent: EP2163554 A1, 2010 ; Location in patent: Page/Page column 64 ;
  • Route3
    • 5-Bromonicotinic acid Nicergoline Impurity|CS-0492508
      20826-04-4
    • ~94%
    • In-stock
      Methyl 5-bromonicotinate|CS-W007467
      29681-44-5

    References

    • Eisai Co., Ltd. Patent: US2002/19531 A1, 2002 ; US 20020019531 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.6307
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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