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CS-W001157 4
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1-Methanesulfonyl-1h-pyrrole-2-carbaldehyde

  • CAS No. 123892-38-6

  • Cat. No. CS-0231495
  • Purity≥97%
  • MDL No.None

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

1-Methanesulfonyl-1h-pyrrole-2-carbaldehyde|CS-0231495

Structure of 123892-38-6

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General Information

  • CAS No. 123892-38-6
  • Cat. No. CS-0231495
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₃S
  • Molecular Weight 173.19
  • Synonym(s) 1-methylsulfonylpyrrole-2-carboxaldehyde
  • SMILES O=CC1=CC=CN1S(=O)(C)=O

Synthesis

  • Route1
    • null|null
      24771-28-6
    • null|null
      98-59-9
    • ~69%
    • 1-Methanesulfonyl-1h-pyrrole-2-carbaldehyde|CS-0231495
      123892-38-6

    References

    • VERNALIS (RandD) LIMITED; STOKES, Stephen; GRAHAM, Christoper John; RAY, Stuart Christopher; STEFANIAK, Emma Jayne Patent: WO2013/114113 A1, 2013 ; Location in patent: Page/Page column 105; 106 ;
  • Route2

    References

    • Abell, Andrew D.; Nabbs, Brent K.; Battersby, Alan R. Journal of Organic Chemistry, 1998 , vol. 63, # 23 p. 8163 - 8169

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   56.14
  • LogP   0.1083
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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