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CS-W001157 4
Total: USD 88.00

2-Amino-5-cyano-3-methylbenzoic acid

  • CAS No. 871239-18-8

  • Cat. No. CS-0047239
  • Purity≥98%
  • MDL No.None

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

2-Amino-5-cyano-3-methylbenzoic acid|CS-0047239

Structure of 871239-18-8

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General Information

  • CAS No. 871239-18-8
  • Cat. No. CS-0047239
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 2-amino-3-methyl-5-cyanobenzoic acid
  • SMILES N#CC1=CC(C(O)=O)=C(C(C)=C1)N

Synthesis

  • Route1
    • In-stock
      2-Amino-5-iodo-3-methylbenzoic acid|CS-0149159
      108857-24-5
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      544-92-3
    • ~%
    • In-stock
      2-Amino-5-cyano-3-methylbenzoic acid|CS-0047239
      871239-18-8

    References

    • E.I. DUPONT DE NEMOURS AND COMPANY Patent: WO2005/118552 A2, 2005 ; Location in patent: Page/Page column 13-14 ;
  • Route2
    • null|null
      773837-37-9
    • In-stock
      2-Amino-5-iodo-3-methylbenzoic acid|CS-0149159
      108857-24-5
    • ~72%
    • In-stock
      2-Amino-5-cyano-3-methylbenzoic acid|CS-0047239
      871239-18-8

    References

    • Selby, Thomas P.; Lahm, George P.; Stevenson, Thomas M.; Hughes, Kenneth A.; Cordova, Daniel; Annan, I. Billy; Barry, James D.; Benner, Eric A.; Currie, Martin J.; Pahutski, Thomas F. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 23 p. 6341 - 6345
  • Route3

    References

    • Allendoerfer, Nadine; Es-Sayed, Mazen; Nieger, Martin; Braese, Stefan Tetrahedron Letters, 2012 , vol. 53, # 4 p. 388 - 391

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-H312-H315-H319-H332-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   87.11
  • LogP   1.1471
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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