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CS-W001157 4
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3-(2-Methoxyphenyl)-3-oxopropanenitrile

  • CAS No. 35276-83-6

  • Cat. No. CS-0199534
  • Purity≥98%
  • MDL No.None

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

3-(2-Methoxyphenyl)-3-oxopropanenitrile|CS-0199534

Structure of 35276-83-6

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General Information

  • CAS No. 35276-83-6
  • Cat. No. CS-0199534
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) Benzenepropanenitrile, 2-methoxy-beta-oxo-
  • SMILES COC1=CC=CC=C1C(=O)CC#N

Synthesis

  • Route1

    References

    • Park, Ahbyeol; Lee, Sunwoo Organic Letters, 2012 , vol. 14, # 4 p. 1118 - 1121
  • Route2
    • Methyl anisate, ≥99%|CS-1268957
      121-98-2
    • null|null
      75-05-8
    • ~%
    • In-stock
      3-(2-Methoxyphenyl)-3-oxopropanenitrile|CS-0199534
      35276-83-6

    References

    • EP2415840 A1, ; Page/Page column 33-34 ;
  • Route3

    References

    • Pyo, Ayoung; Park, Ahbyeol; Jung, Hyunmin; Lee, Sunwoo Synthesis (Germany), 2012 , vol. 44, # 18 p. 2885 - 2888

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

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.79158
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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