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CS-W001157 4
Total: USD 88.00

2-((2-Aminophenyl)amino)-5-methylthiophene-3-carbonitrile

  • CAS No. 873895-41-1

  • Cat. No. CS-0571338
  • Purity≥98%
  • MDL No.MFCD20528182

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

2-((2-Aminophenyl)amino)-5-methylthiophene-3-carbonitrile|CS-0571338

Structure of 873895-41-1

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General Information

  • CAS No. 873895-41-1
  • Cat. No. CS-0571338
  • Purity ≥98%
  • MDL No. MFCD20528182
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁N₃S
  • Molecular Weight 229.30
  • Synonym(s) 2-(2-Aminoanilino)-5-methylthiophene-3-carbonitrile
  • SMILES CC1=CC(=C(S1)NC2=CC=CC=C2N)C#N

Synthesis

  • Route1
    • Olanzapine impurity 1|CS-0228798
      138564-59-7
    • ~98%
    • 2-((2-Aminophenyl)amino)-5-methylthiophene-3-carbonitrile|CS-0571338
      873895-41-1

    References

    • Hartwig, Jan; Ceylan, Sascha; Kupracz, Lukas; Coutable, Ludovic; Kirschning, Andreas Angewandte Chemie - International Edition, 2013 , vol. 52, # 37 p. 9813 - 9817 Angew. Chem., 2013 , vol. 125, # 37 p. 9995 - 9999,5
  • Route2

    References

    • Hartwig, Jan; Ceylan, Sascha; Kupracz, Lukas; Coutable, Ludovic; Kirschning, Andreas Angewandte Chemie - International Edition, 2013 , vol. 52, # 37 p. 9813 - 9817 Angew. Chem., 2013 , vol. 125, # 37 p. 9995 - 9999,5
  • Route3
    • null|null
      609-73-4
    • ~%
    • 2-((2-Aminophenyl)amino)-5-methylthiophene-3-carbonitrile|CS-0571338
      873895-41-1

    References

    • Hartwig, Jan; Ceylan, Sascha; Kupracz, Lukas; Coutable, Ludovic; Kirschning, Andreas Angewandte Chemie - International Edition, 2013 , vol. 52, # 37 p. 9813 - 9817 Angew. Chem., 2013 , vol. 125, # 37 p. 9995 - 9999,5

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   61.84
  • LogP   3.254
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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