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CS-W001157 4
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2-Hydroxy-3-methoxybenzonitrile

  • CAS No. 6812-16-4

  • Cat. No. CS-0067940
  • Purity≥95%
  • MDL No.MFCD02261936

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

2-Hydroxy-3-methoxybenzonitrile|CS-0067940

Structure of 6812-16-4

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General Information

  • CAS No. 6812-16-4
  • Cat. No. CS-0067940
  • Purity ≥95%
  • MDL No. MFCD02261936
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂
  • Molecular Weight 149.15
  • Synonym(s) o-Vanillonitrile
  • SMILES N#CC1=CC=CC(OC)=C1O

Synthesis

  • Route1

    References

    • Ghosh, Pranab; Subba, Raju Tetrahedron Letters, 2013 , vol. 54, # 36 p. 4885 - 4887
  • Route2
    • 2-Hydroxy-3-methoxybenzaldehyde oxime|CS-0197014
      2169-99-5
    • ~49%
    • In-stock
      2-Hydroxy-3-methoxybenzonitrile|CS-0067940
      6812-16-4

    References

    • Rahman, Loay K. A.; Scrowston, Richard M. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 12 p. 2973 - 2978

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   53.25
  • LogP   1.27248
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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