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CS-W001157 4
Total: USD 88.00

3-(M-Tolyl)isonicotinic acid

  • CAS No. 100004-79-3

  • Cat. No. CS-0061082
  • Purity≥97%
  • MDL No.None

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

3-(M-Tolyl)isonicotinic acid|CS-0061082

Structure of 100004-79-3

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General Information

  • CAS No. 100004-79-3
  • Cat. No. CS-0061082
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₂
  • Molecular Weight 213.23
  • Synonym(s) 3-(3-METHYLPHENYL)ISONICOTINIC ACID
  • SMILES CC=1C=C(C=CC1)C=2C=NC=CC2C(=O)O

Synthesis

  • Route1
    • null|null
      100004-72-6
    • ~%
    • 3-(M-Tolyl)isonicotinic acid|CS-0061082
      100004-79-3

    References

    • Chatterjea, J. N.; Shaw, S. C.; Prasad, Y.; Singh, R. P. Journal of the Indian Chemical Society, 1984 , vol. 61, # 11;12 p. 1028 - 1031
  • Route2
    • null|null
      108-89-4
    • ~%
    • 3-(M-Tolyl)isonicotinic acid|CS-0061082
      100004-79-3

    References

    • Chatterjea, J. N.; Shaw, S. C.; Prasad, Y.; Singh, R. P. Journal of the Indian Chemical Society, 1984 , vol. 61, # 11;12 p. 1028 - 1031
  • Route3
    • null|null
      20241-03-6
    • ~%
    • 3-(M-Tolyl)isonicotinic acid|CS-0061082
      100004-79-3

    References

    • Chatterjea, J. N.; Shaw, S. C.; Prasad, Y.; Singh, R. P. Journal of the Indian Chemical Society, 1984 , vol. 61, # 11;12 p. 1028 - 1031

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   2.75522
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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