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CS-W001157 4
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5-Chloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one

  • CAS No. 5627-73-6

  • Cat. No. CS-0227343
  • Purity95+%
  • MDL No.None

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

5-Chloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one|CS-0227343

Structure of 5627-73-6

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General Information

  • CAS No. 5627-73-6
  • Cat. No. CS-0227343
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO₂
  • Molecular Weight 195.60
  • Synonym(s) 5-chloro-2-methyl-4H-3,1-benzoxazin-4-one
  • SMILES O=C1OC(C)=NC2=CC=CC(Cl)=C12

Synthesis

  • Route1

    References

    • Nagase, Tsuyoshi; Mizutani, Takashi; Ishikawa, Shiho; Sekino, Etsuko; Sasaki, Takahide; Fujimura, Takashi; Ito, Sayaka; Mitobe, Yuko; Miyamoto, Yasuhisa; Yoshimoto, Ryo; Tanaka, Takeshi; Ishihara, Akane; Takenaga, Norihiro; Tokita, Shigeru; Fukami, Takehiro; Sato, Nagaaki Journal of Medicinal Chemistry, 2008 , vol. 51, # 15 p. 4780 - 4789
  • Route2

    References

    • Janssen Pharmaceutica N.V. Patent: US5552399 A1, 1996 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   2.14982
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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