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CS-W001157 4
Total: USD 88.00

2-(4-Bromophenoxy)acetonitrile

  • CAS No. 39489-67-3

  • Cat. No. CS-0199417
  • Purity≥98%
  • MDL No.None

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

2-(4-Bromophenoxy)acetonitrile|CS-0199417

Structure of 39489-67-3

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General Information

  • CAS No. 39489-67-3
  • Cat. No. CS-0199417
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrNO
  • Molecular Weight 212.04
  • Synonym(s) 4-BROMOPHENOXYACETONITRILE
  • SMILES C1=C(C=CC(=C1)OCC#N)Br

Synthesis

  • Route1
    • null|null
      590-17-0
    • ~97%
    • 2-(4-Bromophenoxy)acetonitrile|CS-0199417
      39489-67-3

    References

    • ELI LILLY AND COMPANY Patent: WO2005/40110 A1, 2005 ; Location in patent: Page/Page column 103 ;
  • Route2
    • null|null
      106-41-2
    • null|null
      590-17-0
    • ~67%
    • 2-(4-Bromophenoxy)acetonitrile|CS-0199417
      39489-67-3

    References

    • Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh ACS Combinatorial Science, 2014 , vol. 16, # 2 p. 85 - 91
  • Route3
    • null|null
      106-41-2
    • null|null
      107-14-2
    • ~97%
    • 2-(4-Bromophenoxy)acetonitrile|CS-0199417
      39489-67-3

    References

    • Barkin, Julia L.; Faust Jr., Marcus D.; Trenkle, William C. Organic Letters, 2003 , vol. 5, # 18 p. 3333 - 3335

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.35148
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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