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CS-W001157 4
Total: USD 88.00

2-(m-Tolyl)isonicotinic acid

  • CAS No. 100004-94-2

  • Cat. No. CS-0033911
  • Purity≥96%
  • MDL No.MFCD14666477

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

2-(m-Tolyl)isonicotinic acid|CS-0033911

Structure of 100004-94-2

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General Information

  • CAS No. 100004-94-2
  • Cat. No. CS-0033911
  • Purity ≥96%
  • MDL No. MFCD14666477
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₂
  • Molecular Weight 213.23
  • Synonym(s) 2-(3-Methylphenyl)isonicotinic acid
  • SMILES O=C(C1=CC(C2=CC=CC(C)=C2)=NC=C1)O

Synthesis

  • Route1
    • null|null
      158503-49-2
    • ~89%
    • 2-(m-Tolyl)isonicotinic acid|CS-0033911
      100004-94-2

    References

    • Hashizume, Hirokazu; Ito, Hajime; Kanaya, Naoaki; Nagashima, Hajime; Usui, Hiroyuki; et al. Heterocycles, 1994 , vol. 38, # 7 p. 1551 - 1572
  • Route2

    References

    • Hashizume, Hirokazu; Ito, Hajime; Kanaya, Naoaki; Nagashima, Hajime; Usui, Hiroyuki; et al. Heterocycles, 1994 , vol. 38, # 7 p. 1551 - 1572
  • Route3

    References

    • Hashizume, Hirokazu; Ito, Hajime; Kanaya, Naoaki; Nagashima, Hajime; Usui, Hiroyuki; et al. Heterocycles, 1994 , vol. 38, # 7 p. 1551 - 1572

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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