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CS-W001157 4
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6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one

  • CAS No. 5791-00-4

  • Cat. No. CS-0199170
  • Molecule weight197.62
  • Purity≥97%
  • MDL No.None

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

6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one|CS-0199170

Structure of 5791-00-4

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General Information

  • CAS No. 5791-00-4
  • Cat. No. CS-0199170
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClNO₂
  • Molecular Weight 197.62
  • Synonym(s) 6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one
  • SMILES CC1C(NC2=C(O1)C=CC(Cl)=C2)=O

Synthesis

  • Route1
    • null|null
      563-76-8
    • null|null
      95-85-2
    • ~94%
    • In-stock
      6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one|CS-0199170
      5791-00-4

    References

    • ALANTOS-PHARMACEUTICALS, INC. Patent: WO2006/128184 A2, 2006 ; Location in patent: Page/Page column 154 ; WO 2006/128184 A2
  • Route2
    • null|null
      535-11-5
    • null|null
      95-85-2
    • ~93%
    • In-stock
      6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one|CS-0199170
      5791-00-4

    References

    • Ceylan, Sascha; Coutable, Ludovic; Wegner, Jens; Kirschning, Andreas Chemistry - A European Journal, 2011 , vol. 17, # 6 p. 1884 - 1893
  • Route3
    • null|null
      7623-09-8
    • null|null
      95-85-2
    • ~%
    • In-stock
      6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one|CS-0199170
      5791-00-4

    References

    • Shridhar, D. R.; Jogibhukta, M.; Krishnan, V. S. H.; Joshi, P. P.; Naidu, M. U. R.; et al. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 12 p. 1279 - 1283

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H372-H411
Precautionary Statements : P260-P264-P270-P273-P330-P391-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   2.0594
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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