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CS-W001157 4
Total: USD 88.00

3-Methylisonicotinic acid

  • CAS No. 4021-12-9

  • Cat. No. CS-W004445
  • Purity≥96%
  • MDL No.None

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

3-Methylisonicotinic acid|CS-W004445

Structure of 4021-12-9

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General Information

  • CAS No. 4021-12-9
  • Cat. No. CS-W004445
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₂
  • Molecular Weight 137.14
  • Synonym(s) 3-Methyl-isonicotinic acid
  • SMILES CC1=CN=CC=C1C(O)=O

Synthesis

  • Route1
    • null|null
      583-58-4
    • ~45%
    • In-stock
      3-Methylisonicotinic acid|CS-W004445
      4021-12-9

    References

    • CUSHMAN, Mark S.; KISELEV, Evgeny A.; MORRELL, Andrew E. Patent: US2014/18360 A1, 2014 ; Location in patent: Paragraph 0152 ;
  • Route2
    • null|null
      88329-56-0
    • ~98%
    • In-stock
      3-Methylisonicotinic acid|CS-W004445
      4021-12-9

    References

    • Epsztajn, Jan; Bieniek, Adam; Plotka, Mieczyslaw W. Journal of Chemical Research, Miniprint, 1986 , # 1 p. 442 - 474
  • Route3
    • null|null
      583-58-4
    • ~0%
    • In-stock
      3-Methylisonicotinic acid|CS-W004445
      4021-12-9
    • In-stock
      3-Methyl-pyridine-4-carbaldehyde|CS-0341719
      74663-96-0

    References

    • Dunn Organic Preparations and Procedures International, 1999 , vol. 31, # 1 p. 120 - 123

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.08822
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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