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5-Bromo-2-methoxynicotinamide

  • CAS No. 1245646-66-5

  • Cat. No. CS-0329189
  • Molecule weight231.05
  • Purity95+%
  • MDL No.None

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

5-Bromo-2-methoxynicotinamide|CS-0329189

Structure of 1245646-66-5

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General Information

  • CAS No. 1245646-66-5
  • Cat. No. CS-0329189
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇BrN₂O₂
  • Molecular Weight 231.05
  • Synonym(s) None
  • SMILES COC1=C(C=C(C=N1)Br)C(=O)N

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME CORP.; MCCOMAS, Casey Cameron; LIVERTON, Nigel J.; HABERMANN, Joerg; KOCH, Uwe; NARJES, Frank; LI, Peng; PENG, Xuanjia; SOLL, Richard; WU, Hao; PALANI, Anandan; HE, Shuwen; DAI, Xing; LIU, Hong; LAI, Zhong; LONDON, Clare; XIAO, Dong; ZORN, Nicolas; NARGUND, Ravi Patent: WO2013/33971 A1, 2013 ; Location in patent: Page/Page column 138 ;
  • Route2

    References

    • MERCK SHARP and DOHME CORP.; MCCOMAS, Casey Cameron; LIVERTON, Nigel J.; HABERMANN, Joerg; KOCH, Uwe; NARJES, Frank; LI, Peng; PENG, Xuanjia; SOLL, Richard; WU, Hao; PALANI, Anandan; HE, Shuwen; DAI, Xing; LIU, Hong; LAI, Zhong; LONDON, Clare; XIAO, Dong; ZORN, Nicolas; NARGUND, Ravi Patent: WO2013/33971 A1, 2013 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   65.21
  • LogP   0.9516
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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