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CS-W001157 4
Total: USD 88.00

N-Heterocyclic Carbene

  • CAS No. 6015-57-2

  • Cat. No. CS-0042364
  • Molecule weight226.57
  • Purity≥97%
  • MDL No.MFCD00052331

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

N-Heterocyclic Carbene|CS-0042364

Structure of 6015-57-2

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General Information

  • CAS No. 6015-57-2
  • Cat. No. CS-0042364
  • Purity ≥97%
  • MDL No. MFCD00052331
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃ClN₂O₄
  • Molecular Weight 226.57
  • Synonym(s) N-[(4E)-4-(1,3-benzoxazol-2(3H)-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-3,4,5-triethoxybenzamide
  • SMILES O=C1NC(C2=C1C=C([N+]([O-])=O)C(Cl)=C2)=O

Synthesis

  • Route1

    References

    • Shishkina; Maizlish; Shaposhnikov; Lyubimtsev; Smirnov; Baran'ski Russian Journal of General Chemistry, 1997 , vol. 67, # 5 p. 789 - 792
  • Route2
    • 2,4-Dichlorobenzoic acid Furosemide Impurity|CS-0229669
      50-84-0
    • ~%
    • N-Heterocyclic Carbene|CS-0042364
      6015-57-2

    References

    • Journal of Medicinal Chemistry, , vol. 29, # 6 p. 947 - 959
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 29, # 6 p. 947 - 959

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-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   89.31
  • LogP   1.1318
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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