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CS-W001157 4
Total: USD 88.00

Methyl 2-bromo-4-cyanobenzoate

  • CAS No. 98592-04-2

  • Cat. No. CS-0137755
  • Molecule weight240.05
  • Purity≥97%
  • MDL No.MFCD18398738

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

Methyl 2-bromo-4-cyanobenzoate|CS-0137755

Structure of 98592-04-2

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General Information

  • CAS No. 98592-04-2
  • Cat. No. CS-0137755
  • Purity ≥97%
  • MDL No. MFCD18398738
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrNO₂
  • Molecular Weight 240.05
  • Synonym(s) Benzoic acid, 2-bromo-4-cyano-, methyl ester
  • SMILES O=C(OC)C1=CC=C(C#N)C=C1Br

Synthesis

  • Route1
    • null|null
      1437052-49-7
    • null|null
      506-77-4
    • ~%
    • In-stock
      Methyl 2-bromo-4-cyanobenzoate|CS-0137755
      98592-04-2

    References

    • Anacor Pharmaceuticals, Inc.; Eli Lilly and Company; AKAMA, Tsutomu; Balko, Terry William; Defauw, Jean Marie; Plattner, Jacob J.; White, William Hunter; Winkle, Joseph Raymond; Zhang, Yong-Kang; Zhou, Yasheen Patent: US2013/131017 A1, 2013 ; Location in patent: Paragraph 0348; 0542 ;
  • Route2

    References

    • Anacor Pharmaceuticals, Inc.; Eli Lilly and Company; AKAMA, Tsutomu; Balko, Terry William; Defauw, Jean Marie; Plattner, Jacob J.; White, William Hunter; Winkle, Joseph Raymond; Zhang, Yong-Kang; Zhou, Yasheen Patent: US2013/131017 A1, 2013 ;
  • Route3

    References

    • Anacor Pharmaceuticals, Inc.; Eli Lilly and Company; AKAMA, Tsutomu; Balko, Terry William; Defauw, Jean Marie; Plattner, Jacob J.; White, William Hunter; Winkle, Joseph Raymond; Zhang, Yong-Kang; Zhou, Yasheen Patent: US2013/131017 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 : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.10738
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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