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CS-W001157 4
Total: USD 88.00

4-(Chloromethyl)benzonitrile

  • CAS No. 874-86-2

  • Cat. No. CS-W004115
  • Purity≥98%
  • MDL No.MFCD00019761

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

4-(Chloromethyl)benzonitrile|CS-W004115

Structure of 874-86-2

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General Information

  • CAS No. 874-86-2
  • Cat. No. CS-W004115
  • Purity ≥98%
  • MDL No. MFCD00019761
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClN
  • Molecular Weight None
  • Synonym(s) α-Chloro-p-tolunitrile; 4-(Chloromethyl)benzonitrile
  • SMILES ClCC1=CC=C(C#N)C=C1

Synthesis

  • Route1

    References

    • Metzger, Albrecht; Argyo, Christian; Knochel, Paul Synthesis, 2010 , # 5 art. no. T18309SS, p. 882 - 891
  • Route2
    • In-stock
      4-(Aminomethyl)benzonitrile|CS-W022002
      10406-25-4
    • null|null
      107-06-2
    • ~%
    • In-stock
      4-(Chloromethyl)benzonitrile|CS-W004115
      874-86-2

    References

    • US6187945 B1, ;
  • Route3
    • null|null
      104-85-8
    • ~58%
    • In-stock
      4-(Dichloromethyl)benzonitrile|CS-0654335
      74231-65-5
    • In-stock
      4-(Chloromethyl)benzonitrile|CS-W004115
      874-86-2

    References

    • Tetrahedron Letters, , vol. 29, # 45 p. 5783 - 5786

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.29708
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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