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CS-W001157 4
Total: USD 88.00

1-Methyl-4-nitro-1H-pyrrole-2-carboxylic acid

  • CAS No. 13138-78-8

  • Cat. No. CS-0102902
  • Purity98+%
  • MDL No.MFCD02180913

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

1-Methyl-4-nitro-1H-pyrrole-2-carboxylic acid|CS-0102902

Structure of 13138-78-8

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General Information

  • CAS No. 13138-78-8
  • Cat. No. CS-0102902
  • Purity 98+%
  • MDL No. MFCD02180913
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₄
  • Molecular Weight 170.12
  • Synonym(s) IFLAB-BB F2124-0630
  • SMILES O=C(C1=CC([N+]([O-])=O)=CN1C)O

Synthesis

  • Route1

    References

    • PHARMACIA CORPORATION Patent: WO2004/99131 A2, 2004 ; Location in patent: Page 55 ;
  • Route2

    References

    • Lown, J. William; Krowicki, Krzysztof Journal of Organic Chemistry, 1985 , vol. 50, # 20 p. 3774 - 3779
  • Route3

    References

    • Debart; Perigaud; Gosselin; Mrani; Rayner; Le Ber; Auclair; Balzarini; De Clercq; Paoletti; Imbach Journal of Medicinal Chemistry, 1989 , vol. 32, # 5 p. 1074 - 1083

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   85.37
  • LogP   0.6315
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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