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CS-W001157 4
Total: USD 88.00

2-(3,4-Dihydroxyphenyl)acetonitrile

  • CAS No. 1126-62-1

  • Cat. No. CS-0161192
  • Purity≥98%
  • MDL No.MFCD00236011

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

2-(3,4-Dihydroxyphenyl)acetonitrile|CS-0161192

Structure of 1126-62-1

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General Information

  • CAS No. 1126-62-1
  • Cat. No. CS-0161192
  • Purity ≥98%
  • MDL No. MFCD00236011
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂
  • Molecular Weight 149.15
  • Synonym(s) Dopamine Impurity 35
  • SMILES N#CCC1=CC=C(O)C(O)=C1

Synthesis

  • Route1
    • null|null
      4439-02-5
    • ~52%
    • In-stock
      2-(3,4-Dihydroxyphenyl)acetonitrile|CS-0161192
      1126-62-1

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;
  • Route2

    References

    • THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES; MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V.; UNIVERSITY OF MARYLAND, BALTIMORE; BOXER, Matthew B.; BELLER, Mathias; TSCHAPALDA, Kirsten; SHEN, Min; LIU, Li; ZHANG, Yaqin; LI, Zhuyin; SZTALRYD, Carole Patent: WO2013/78413 A1, 2013 ; Location in patent: Paragraph 00112; 00113; 0204 ;
  • Route3
    • null|null
      66581-99-5
    • ~%
    • In-stock
      2-(3,4-Dihydroxyphenyl)acetonitrile|CS-0161192
      1126-62-1

    References

    • Trave Gazzetta Chimica Italiana, 1950 , vol. 80, p. 502,505

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

Quality Control

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Computational Chemistry Data

  • TPSA   64.25
  • LogP   1.16388
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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