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CS-W001157 4
Total: USD 88.00

3-Phenoxybenzonitrile

  • CAS No. 50789-45-2

  • Cat. No. CS-0119917
  • Purity≥95%
  • MDL No.MFCD05669318

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

3-Phenoxybenzonitrile|CS-0119917

Structure of 50789-45-2

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General Information

  • CAS No. 50789-45-2
  • Cat. No. CS-0119917
  • Purity ≥95%
  • MDL No. MFCD05669318
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO
  • Molecular Weight 195.22
  • Synonym(s) None
  • SMILES N#CC1=CC=CC(OC2=CC=CC=C2)=C1

Synthesis

  • Route1
    • In-stock
      2-Chlorobenzonitrile|CS-W018317
      873-32-5
    • null|null
      70384-57-5
    • null|null
      108-95-2
    • ~73%
    • 3-Phenoxybenzonitrile|CS-0119917
      50789-45-2

    References

    • Rhone-Poulenc Industries Patent: US4288386 A1, 1981 ;
  • Route2

    References

    • Rokade, Balaji V.; Malekar, Sanjeev K.; Prabhu, Kandikere Ramaiah Chemical Communications, 2012 , vol. 48, # 44 p. 5506 - 5508
  • Route3

    References

    • Niu, Jiajia; Zhou, Hua; Li, Zhigang; Xu, Jingwei; Hu, Shaojing Journal of Organic Chemistry, 2008 , vol. 73, # 19 p. 7814 - 7817

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   33.02
  • LogP   3.35058
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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