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CS-W001157 4
Total: USD 88.00

2-(5-Acetyl-2-methoxyphenyl)acetonitrile

  • CAS No. 403499-85-4

  • Cat. No. CS-0223559
  • Molecule weight189.21
  • Purity≥97%
  • MDL No.None

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

2-(5-Acetyl-2-methoxyphenyl)acetonitrile|CS-0223559

Structure of 403499-85-4

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General Information

  • CAS No. 403499-85-4
  • Cat. No. CS-0223559
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) Benzeneacetonitrile, 5-acetyl-2-methoxy- (9CI)
  • SMILES N#CCC1=CC(C(C)=O)=CC=C1OC

Synthesis

  • Route1
    • null|null
      24085-05-0
    • ~%
    • 2-(5-Acetyl-2-methoxyphenyl)acetonitrile|CS-0223559
      403499-85-4

    References

    • Trave Gazzetta Chimica Italiana, 1951 , vol. 81, p. 773,779
  • Route2

    References

    • Trave Gazzetta Chimica Italiana, 1951 , vol. 81, p. 773,779
  • Route3
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • ~%
    • 2-(5-Acetyl-2-methoxyphenyl)acetonitrile|CS-0223559
      403499-85-4

    References

    • Trave Gazzetta Chimica Italiana, 1951 , vol. 81, p. 773,779

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   50.09
  • LogP   1.96388
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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