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CS-W001157 4
Total: USD 88.00

4-Chloro-1-methyl-3-nitroquinolin-2(1H)-one

  • CAS No. 79966-13-5

  • Cat. No. CS-0455915
  • Purity≥98%
  • MDL No.None

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

4-Chloro-1-methyl-3-nitroquinolin-2(1H)-one|CS-0455915

Structure of 79966-13-5

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General Information

  • CAS No. 79966-13-5
  • Cat. No. CS-0455915
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₂O₃
  • Molecular Weight 238.63
  • Synonym(s) 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one
  • SMILES CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])Cl

Synthesis

  • Route1
    • 4-Hydroxy-1-methyl-3-nitroquinolin-2(1h)-one|CS-0300823
      36949-55-0
    • ~92%
    • 4-Chloro-1-methyl-3-nitroquinolin-2(1H)-one|CS-0455915
      79966-13-5

    References

    • Roschger, Peter; Fiala, Werner; Stadlbauer, Wolfgang Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 1 p. 225 - 231
  • Route2

    References

    • Russian Journal of Organic Chemistry, , vol. 29, # 4.2 p. 653 - 658 Zhurnal Organicheskoi Khimii, , vol. 29, # 4 p. 782 - 788
  • Route3
    • 4-Hydroxy-1-methyl-3-nitroquinolin-2(1h)-one|CS-0300823
      36949-55-0
    • ~0%
    • 3-Chloro-4-hydroxy-1-methylquinolin-2(1H)-one|CS-0332359
      41878-51-7
    • 4-Chloro-1-methyl-3-nitroquinolin-2(1H)-one|CS-0455915
      79966-13-5

    References

    • Drozd, V. N.; Knyazev, V. N.; Nam, N. L.; Lezina, V. P.; Mozhaeva, T. Ya.; Savel'ev, V. L. Russian Journal of Organic Chemistry, 1993 , vol. 29, # 4.2 p. 653 - 658 Zhurnal Organicheskoi Khimii, 1993 , vol. 29, # 4 p. 782 - 788

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H301-H315-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   65.14
  • LogP   2.1001
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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