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CS-W001157 4
Total: USD 88.00

6-Chlorovanillin

  • CAS No. 18268-76-3

  • Cat. No. CS-0116503
  • Molecule weight186.59
  • Purity≥97%
  • MDL No.MFCD02379943

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

6-Chlorovanillin|CS-0116503

Structure of 18268-76-3

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General Information

  • CAS No. 18268-76-3
  • Cat. No. CS-0116503
  • Purity ≥97%
  • MDL No. MFCD02379943
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₃
  • Molecular Weight 186.59
  • Synonym(s) None
  • SMILES O=CC1=CC(OC)=C(O)C=C1Cl

Synthesis

  • Route1
    • 2-Chloro-4,5-dimethoxybenzaldehyde|CS-0116515
      18093-05-5
    • ~42%
    • 6-Chlorovanillin|CS-0116503
      18268-76-3

    References

    • PLEXXIKON, INC. Patent: WO2008/80001 A2, 2008 ; Location in patent: Page/Page column 92-93 ;
  • Route2
    • null|null
      37686-56-9
    • null|null
      74-88-4
    • ~4%
    • 2-Chloro-4,5-dimethoxybenzaldehyde|CS-0116515
      18093-05-5
    • 2-Chloro-5-hydroxy-4-methoxybenzaldehyde|CS-0973521
      89938-55-6
    • 6-Chlorovanillin|CS-0116503
      18268-76-3

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/63820 A1, 2006 ; Location in patent: Page/Page column 16-17 ;
  • Route3
    • null|null
      84333-02-8
    • ~%
    • 6-Chlorovanillin|CS-0116503
      18268-76-3

    References

    • Smith; Wearne; Wallis Chemosphere, 1995 , vol. 30, # 1 p. 69 - 80

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-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.8667
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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