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CS-W001157 4
Total: USD 88.00

2-Cyanobenzyl chloride

  • CAS No. 612-13-5

  • Cat. No. CS-0015378
  • Purity≥96%
  • MDL No.MFCD00019745

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

2-Cyanobenzyl chloride|CS-0015378

Structure of 612-13-5

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General Information

  • CAS No. 612-13-5
  • Cat. No. CS-0015378
  • Purity ≥96%
  • MDL No. MFCD00019745
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClN
  • Molecular Weight None
  • Synonym(s) o-(Chloromethyl)benzonitrile; o-Cyanobenzylchloride; α-Chloro-o-toluonitrile; α-Chloro-o-tolunitrile
  • SMILES N#CC1=CC=CC=C1CCl

Synthesis

  • Route1
    • null|null
      529-19-1
    • ~29%
    • 2-Cyanobenzyl chloride|CS-0015378
      612-13-5

    References

    • Kol'tsov; Salfetnikova Russian Journal of General Chemistry, 2003 , vol. 73, # 3 p. 389 - 393
  • Route2
    • o-Toluic acid Tolvaptan  Impurity|CS-0229343
      118-90-1
    • ~%
    • 2-Cyanobenzyl chloride|CS-0015378
      612-13-5

    References

    • Russian Journal of Organic Chemistry, , vol. 32, # 10 p. 1447 - 1470
  • Route3
    • null|null
      529-19-1
    • null|null
      7782-50-5
    • ~%
    • 2-Cyanobenzyl chloride|CS-0015378
      612-13-5

    References

    • Chemische Berichte, , vol. 20, p. 2222

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2923
Class : 8(6.1)
Packing Group : Ⅱ
Hazard Statements : H301-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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