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CS-W001157 4
Total: USD 88.00

6-Isopropylnicotinic acid

  • CAS No. 886214-81-9

  • Cat. No. CS-0111264
  • Purity≥98%
  • MDL No.MFCD11558922

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

6-Isopropylnicotinic acid|CS-0111264

Structure of 886214-81-9

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General Information

  • CAS No. 886214-81-9
  • Cat. No. CS-0111264
  • Purity ≥98%
  • MDL No. MFCD11558922
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) 6-isopropylpyridine-3-carboxylic acid
  • SMILES O=C(C1=CC=C(C(C)C)N=C1)O

Synthesis

  • Route1

    References

    • Mitsubishi Pharma Corporation Patent: EP1852431 A1, 2007 ; Location in patent: Page/Page column 28 ; EP 1852431 A1
  • Route2
    • 6-Isopropylnicotinonitrile|CS-0651422
      1033750-40-1
    • ~%
    • 6-Isopropylnicotinic acid|CS-0111264
      886214-81-9

    References

    • Nishikawa; Shindo; Ishii; Nakamura; Kon; Uno Journal of Medicinal Chemistry, 1989 , vol. 32, # 3 p. 583 - 593

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.9032
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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