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CS-W001157 4
Total: USD 88.00

1-Ethynyl-3-nitrobenzene Erlotinib Impurity

  • CAS No. 3034-94-4

  • Cat. No. CS-0204124
  • Purity≥97%
  • MDL No.MFCD02181150

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

1-Ethynyl-3-nitrobenzene Erlotinib Impurity|CS-0204124

Structure of 3034-94-4

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General Information

  • CAS No. 3034-94-4
  • Cat. No. CS-0204124
  • Purity ≥97%
  • MDL No. MFCD02181150
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₂
  • Molecular Weight 147.13
  • Synonym(s) 3-Nitrophenylacetylene
  • SMILES O=[N+](C1=CC(C#C)=CC=C1)[O-]

Synthesis

  • Route1
    • null|null
      645-00-1
    • null|null
      1066-54-2
    • ~45%
    • 1-Ethynyl-3-nitrobenzene Erlotinib Impurity|CS-0204124
      3034-94-4

    References

    • Ashburn, Bradley O.; Carter, Rich G. Organic and Biomolecular Chemistry, 2008 , vol. 6, # 2 p. 255 - 257
  • Route2
    • null|null
      82594-66-9
    • ~81%
    • 1-Ethynyl-3-nitrobenzene Erlotinib Impurity|CS-0204124
      3034-94-4

    References

    • Matveeva; Erin; Kurz Russian Journal of Organic Chemistry, 1997 , vol. 33, # 8 p. 1065 - 1067
  • Route3
    • null|null
      113639-16-0
    • ~86%
    • 1,3,3-Trimethylindolin-2-one|CS-0464691
      20200-86-6
    • 1-Ethynyl-3-nitrobenzene Erlotinib Impurity|CS-0204124
      3034-94-4

    References

    • Prizhiyalgovskaya, N. M.; Kon'kov, L. I.; Tarshits, D. L.; Salmina, S. V.; Segizova, N. T.; Suvorov, N. N. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1987 , vol. 23, # 7 p. 751 - 754 Khimiya Geterotsiklicheskikh Soedinenii, 1987 , # 7 p. 915 - 918

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   1.5761
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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