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CS-W001157 4
Total: USD 88.00

7-Methyl-3H-1,3-benzoxazol-2-one

  • CAS No. 40925-60-8

  • Cat. No. CS-0036714
  • Purity≥95%
  • MDL No.None

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

7-Methyl-3H-1,3-benzoxazol-2-one|CS-0036714

Structure of 40925-60-8

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General Information

  • CAS No. 40925-60-8
  • Cat. No. CS-0036714
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂
  • Molecular Weight 149.15
  • Synonym(s) 2(3H)-Benzoxazolone, 7-methyl-
  • SMILES CC1=C2C(=CC=C1)N=C(O)O2

Synthesis

  • Route1

    References

    • Kelly, Nicholas Michael; Koch, Kristian Norup; Tolf, Bo-Ragnar Patent: US2004/67931 A1, 2004 ; Location in patent: Page/Page column 17-18 ;
  • Route2
    • null|null
      440359-58-0
    • ~54%
    • 7-Methyl-3H-1,3-benzoxazol-2-one|CS-0036714
      40925-60-8

    References

    • Kohara, Toshiyuki; Tanaka, Hiroshi; Kimura, Koreichi; Horiuchi, Hideki; Seio, Kohji; Arita, Masafumi; Fujimoto, Tetsuya; Yamamoto, Iwao Journal of Heterocyclic Chemistry, 2002 , vol. 39, # 1 p. 163 - 171
  • Route3

    References

    • Clark, Robin D.; Caroon, Joan M. Journal of Organic Chemistry, 1982 , vol. 47, # 14 p. 2804 - 2806

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.26
  • LogP   1.84182
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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