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CS-W001157 4
Total: USD 88.00

Methyl 2-(3-cyanophenyl)acetate

  • CAS No. 52798-00-2

  • Cat. No. CS-0150713
  • Purity≥95%
  • MDL No.MFCD04038679

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

Methyl 2-(3-cyanophenyl)acetate|CS-0150713

Structure of 52798-00-2

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General Information

  • CAS No. 52798-00-2
  • Cat. No. CS-0150713
  • Purity ≥95%
  • MDL No. MFCD04038679
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) Methyl (3-cyanophenyl)acetate
  • SMILES COC(=O)CC1=CC(=CC=C1)C#N

Synthesis

  • Route1
    • null|null
      557-21-1
    • In-stock
      (3-Bromophenyl)acetic acid methyl ester|CS-W019829
      150529-73-0
    • ~77%
    • In-stock
      Methyl 2-(3-cyanophenyl)acetate|CS-0150713
      52798-00-2

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1479681 A1, 2004 ; Location in patent: Page 112 ;
  • Route2
    • null|null
      67-56-1
    • In-stock
      2-(3-Cyanophenyl)acetic acid|CS-W005265
      1878-71-3
    • ~84%
    • In-stock
      Methyl 2-(3-cyanophenyl)acetate|CS-0150713
      52798-00-2

    References

    • Gruenenthal GmbH; FRANK, Robert; Bahrenberg, Gregor; Christoph, Thomas; Lesch, Bernhard; Lee, Jeewoo Patent: US2013/79320 A1, 2013 ; Location in patent: Paragraph 0457; 0458; 0465; 0466 ;
  • Route3
    • null|null
      7719-09-7
    • In-stock
      2-(3-Cyanophenyl)acetic acid|CS-W005265
      1878-71-3
    • ~%
    • In-stock
      Methyl 2-(3-cyanophenyl)acetate|CS-0150713
      52798-00-2

    References

    • US2014/142081 A1, ; Page/Page column ;

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   50.09
  • LogP   1.27378
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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