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CS-W001157 4
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5-Chloro-2-methoxybenzyl cyanide

  • CAS No. 7048-38-6

  • Cat. No. CS-B1013
  • Molecule weight181.62
  • Purity≥96%
  • MDL No.MFCD07348599

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

5-Chloro-2-methoxybenzyl cyanide|CS-B1013

Structure of 7048-38-6

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General Information

  • CAS No. 7048-38-6
  • Cat. No. CS-B1013
  • Purity ≥96%
  • MDL No. MFCD07348599
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClNO
  • Molecular Weight 181.62
  • Synonym(s) (5-Chloro-2-methoxyphenyl)acetonitrile; 2-(5-Chloro-2-methoxyphenyl)acetonitrile
  • SMILES N#CCC1=CC(Cl)=CC=C1OC

Description

5-Chloro-2-methoxybenzyl cyanide features a strategically positioned nitrile group flanked by electron-withdrawing chlorine and electron-donating methoxy substituents, enhancing its reactivity in nucleophilic addition and coupling processes. This ortho-substituted benzyl cyanide exhibits robust stability under standard bench conditions and facilitates efficient incorporation into complex molecular architectures.

Application

5-Chloro-2-methoxybenzyl cyanide serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient access to substituted benzimidazoles and heterocyclic scaffolds. Its orthogonal functional groups—cyano, chloro, and methoxy—facilitate sequential transformations under mild conditions. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, simplifying purification and scale-up in multi-step syntheses.

Synthesis

  • Route1
    • null|null
      7035-11-2
    • null|null
      151-50-8
    • ~93%
    • In-stock
      5-Chloro-2-methoxybenzyl cyanide|CS-B1013
      7048-38-6

    References

    • Verhe; De Kimpe; De Buyck; et al. Bulletin des Societes Chimiques Belges, 1980 , vol. 89, # 6 p. 459 - 485
  • Route2
    • null|null
      7035-11-2
    • ~%
    • In-stock
      5-Chloro-2-methoxybenzyl cyanide|CS-B1013
      7048-38-6

    References

    • US2003/83335 A1, ;
  • Route3
    • null|null
      623-12-1
    • ~%
    • In-stock
      5-Chloro-2-methoxybenzyl cyanide|CS-B1013
      7048-38-6

    References

    • Bulletin des Societes Chimiques Belges, , vol. 89, # 6 p. 459 - 485

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.41468
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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