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CS-W001157 4
Total: USD 88.00

3-Ethynylaniline Erlotinib Impurity

  • CAS No. 54060-30-9

  • Cat. No. CS-0204125
  • Purity≥98%
  • MDL No.MFCD00014779

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

3-Ethynylaniline Erlotinib Impurity|CS-0204125

Structure of 54060-30-9

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General Information

  • CAS No. 54060-30-9
  • Cat. No. CS-0204125
  • Purity ≥98%
  • MDL No. MFCD00014779
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N
  • Molecular Weight 117.15
  • Synonym(s) None
  • SMILES NC1=CC=CC(C#C)=C1

Synthesis

  • Route1

    References

    • EP2433931 A1, ; Page/Page column 10 ;
  • Route2

    References

    • US2008/287705 A1, ; Page/Page column 6 ;
  • Route3
    • 1-Ethynyl-3-nitrobenzene Erlotinib Impurity|CS-0204124
      3034-94-4
    • ~15%
    • null|null
      871895-82-8
    • 3-Ethynylaniline Erlotinib Impurity|CS-0204125
      54060-30-9

    References

    • Advanced Synthesis and Catalysis, , vol. 354, # 13 p. 2412 - 2418

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   1.2501
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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