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3-Chloro-5-methoxybenzonitrile

  • CAS No. 473923-96-5

  • Cat. No. CS-0099387
  • Molecule weight167.59
  • Purity≥98%
  • MDL No.MFCD11505060

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

3-Chloro-5-methoxybenzonitrile|CS-0099387

Structure of 473923-96-5

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General Information

  • CAS No. 473923-96-5
  • Cat. No. CS-0099387
  • Purity ≥98%
  • MDL No. MFCD11505060
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO
  • Molecular Weight 167.59
  • Synonym(s) Benzonitrile,3-chloro-5-methoxy
  • SMILES N#CC1=CC(OC)=CC(Cl)=C1

Synthesis

  • Route1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2008/154271 A1, 2008 ; Location in patent: Page/Page column 57 ;
  • Route2

    References

    • KARYOPHARM THERAPEUTICS, INC.; SHECHTER, Sharon; KAUFFMAN, Michael; SANDANYAKA, Vincent, P.; SHACHAM, Sharon Patent: WO2011/109799 A1, 2011 ; Location in patent: Page/Page column 115-116 ;
  • Route3

    References

    • PFIZER LIMITED; PFIZER INC. Patent: WO2004/31178 A1, 2004 ; Location in patent: Page 26 ;

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

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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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