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CS-W001157 4
Total: USD 88.00

2-Bromo-5-methylnicotinonitrile

  • CAS No. 65996-18-1

  • Cat. No. CS-0153379
  • Molecule weight197.03
  • Purity≥97%
  • MDL No.MFCD20925052

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

2-Bromo-5-methylnicotinonitrile|CS-0153379

Structure of 65996-18-1

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General Information

  • CAS No. 65996-18-1
  • Cat. No. CS-0153379
  • Purity ≥97%
  • MDL No. MFCD20925052
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrN₂
  • Molecular Weight 197.03
  • Synonym(s) 2-bromo-5-methylpyridine-3-carbonitrile
  • SMILES CC1=CC(=C(Br)N=C1)C#N

Synthesis

  • Route1
    • (E)-2-(3-ethoxy-2-methylallylidene)malononitrile|CS-0454598
      65995-93-9
    • ~15%
    • 2-Bromo-5-methylnicotinonitrile|CS-0153379
      65996-18-1

    References

    • Merck and Co., Inc. Patent: US4279913 A1, 1981 ;
  • Route2
    • 2-Methoxy-5-methylnicotinonitrile|CS-0081684
      149379-73-7
    • ~60%
    • 2-Bromo-5-methylnicotinonitrile|CS-0153379
      65996-18-1

    References

    • Victory, P.; Borrell, J. I.; Castejon, P.; Martinez-Teipel, B.; Vidal-Ferran, A. Anales de Quimica, 1993 , vol. 89, p. 625 - 628

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.0242
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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