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3-(3,4-Dimethylphenyl)-3-oxopropanenitrile

  • CAS No. 884504-20-5

  • Cat. No. CS-0239398
  • Purity≥98%
  • MDL No.None

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

3-(3,4-Dimethylphenyl)-3-oxopropanenitrile|CS-0239398

Structure of 884504-20-5

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General Information

  • CAS No. 884504-20-5
  • Cat. No. CS-0239398
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO
  • Molecular Weight 173.21
  • Synonym(s) 3,4-Dimethylbenzoylacetonitrile
  • SMILES CC1=CC=C(C=C1C)C(=O)CC#N

Synthesis

  • Route1

    References

    • Park, Ahbyeol; Lee, Sunwoo Organic Letters, 2012 , vol. 14, # 4 p. 1118 - 1121
  • Route2

    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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.39982
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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