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CS-W001157 4
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3-(Chloromethyl)benzonitrile

  • CAS No. 64407-07-4

  • Cat. No. CS-W021770
  • Purity≥98%
  • MDL No.MFCD02684191

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

3-(Chloromethyl)benzonitrile|CS-W021770

Structure of 64407-07-4

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General Information

  • CAS No. 64407-07-4
  • Cat. No. CS-W021770
  • Purity ≥98%
  • MDL No. MFCD02684191
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClN
  • Molecular Weight None
  • Synonym(s) α-Chloro-m-tolunitrile
  • SMILES C1=C(C=CC=C1C#N)CCl

Synthesis

  • Route1

    References

    • Metzger, Albrecht; Schade, Matthias A.; Knochel, Paul Organic Letters, 2008 , vol. 10, # 6 p. 1107 - 1110
  • Route2

    References

    • Kim, Hyung Woo; Lee, Yun-Sang; Shetty, Dinesh; Lee, Hak Jeong; Lee, Dong Soo; Chung, June-Key; Lee, Myung Chul; Chung, Kyoo-Hyun; Jeong, Jae Min Bulletin of the Korean Chemical Society, 2010 , vol. 31, # 11 p. 3434 - 3436
  • Route3

    References

    • US2002/35102 A1, ;

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-H412
Precautionary Statements : P264-P270-P273-P280-P302+P352-P330-P362+P364-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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