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CS-W001157 4
Total: USD 88.00

(S)-4-(Oxiran-2-ylmethoxy)benzonitrile

  • CAS No. 70987-80-3

  • Cat. No. CS-0368554
  • Molecule weight175.18
  • Purity≥97%
  • MDL No.MFCD08752563

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

(S)-4-(Oxiran-2-ylmethoxy)benzonitrile|CS-0368554

Structure of 70987-80-3

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General Information

  • CAS No. 70987-80-3
  • Cat. No. CS-0368554
  • Purity ≥97%
  • MDL No. MFCD08752563
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) None
  • SMILES N#CC(C=C1)=CC=C1OC[C@@H]2CO2

Synthesis

  • Route1
    • null|null
      51594-55-9
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~89%
    • (S)-4-(Oxiran-2-ylmethoxy)benzonitrile|CS-0368554
      70987-80-3

    References

    • AstraZeneca AB Patent: US6559143 B1, 2003 ; US 6559143 B1
  • Route2

    References

    • Kitaori, Kazuhiro; Furukawa, Yoshiro; Yoshimoto, Hiroshi; Otera, Junzo Tetrahedron, 1999 , vol. 55, # 50 p. 14381 - 14390
  • Route3

    References

    • Kitaori, Kazuhiro; Furukawa, Yoshiro; Yoshimoto, Hiroshi; Otera, Junzo Tetrahedron, 1999 , vol. 55, # 50 p. 14381 - 14390

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   45.55
  • LogP   1.33588
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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