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CS-W001157 4
Total: USD 88.00

2-(3,4,5-Trimethoxyphenyl)acetonitrile

  • CAS No. 13338-63-1

  • Cat. No. CS-W015270
  • Purity≥97%
  • MDL No.MFCD00001912

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

2-(3,4,5-Trimethoxyphenyl)acetonitrile|CS-W015270

Structure of 13338-63-1

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General Information

  • CAS No. 13338-63-1
  • Cat. No. CS-W015270
  • Purity ≥97%
  • MDL No. MFCD00001912
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₃
  • Molecular Weight 207.23
  • Synonym(s) 3,4,5-Trimethoxyphenylacetonitrile
  • SMILES N#CCC1=CC(OC)=C(OC)C(OC)=C1

Description

3,4,5-Trimethoxyphenylacetonitrile is synthesized by the condensation of 3 : 4 : 5-trimethoxybenzaldehyde with hippuric acid.3,4,5-Trimethoxyphenylacetonitrile is used as an internal standard during the determination of vancomycin in serum. The method used involved a direct and rapid solvent precipitation of protein.

Synthesis

  • Route1

    References

    • Chemische Berichte, , vol. 92, p. 1336,1342
  • Route2
    • null|null
      5320-31-0
    • ~%
    • In-stock
      2-(3,4,5-Trimethoxyphenyl)acetonitrile|CS-W015270
      13338-63-1

    References

    • Chemische Berichte, , vol. 67, p. 696,702
  • Route3
    • null|null
      151-50-8
    • 3,4,5-Trimethoxybenzyl chloride|CS-0204795
      3840-30-0
    • ~%
    • In-stock
      2-(3,4,5-Trimethoxyphenyl)acetonitrile|CS-W015270
      13338-63-1

    References

    • Bulletin de la Societe Chimique de France, , p. 835 - 843

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   51.48
  • LogP   1.77848
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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