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CS-W001157 4
Total: USD 88.00

2-Chloro-4-methoxybenzonitrile

  • CAS No. 127666-99-3

  • Cat. No. CS-0043807
  • Purity≥98%
  • MDL No.MFCD00156133

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

2-Chloro-4-methoxybenzonitrile|CS-0043807

Structure of 127666-99-3

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General Information

  • CAS No. 127666-99-3
  • Cat. No. CS-0043807
  • Purity ≥98%
  • MDL No. MFCD00156133
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO
  • Molecular Weight 167.59
  • Synonym(s) 3-Chloro-4-cyanoanisole, 2-Chloro-p-anisonitrile
  • SMILES N#CC1=CC=C(OC)C=C1Cl

Synthesis

  • Route1
    • In-stock
      2-Chloro-4-hydroxybenzonitrile|CS-W008114
      3336-16-1
    • null|null
      74-88-4
    • ~97%
    • In-stock
      2-Chloro-4-methoxybenzonitrile|CS-0043807
      127666-99-3

    References

    • WO2010/65760 A1, ; Page/Page column 133-134 ; WO 2010/065760 A1
  • Route2
    • null|null
      67-56-1
    • In-stock
      2-Chloro-4-nitrobenzonitrile|CS-W017084
      28163-00-0
    • ~89%
    • In-stock
      2-Chloro-4-methoxybenzonitrile|CS-0043807
      127666-99-3

    References

    • Journal of Organic Chemistry, , vol. 55, # 16 p. 4817 - 4821
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 7 p. 1475 - 1484

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   2.22028
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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