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CS-W001157 4
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3-Hydroxy-2-methylbenzonitrile

  • CAS No. 55289-04-8

  • Cat. No. CS-0019221
  • Purity≥98%
  • MDL No.MFCD02683035

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

3-Hydroxy-2-methylbenzonitrile|CS-0019221

Structure of 55289-04-8

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General Information

  • CAS No. 55289-04-8
  • Cat. No. CS-0019221
  • Purity ≥98%
  • MDL No. MFCD02683035
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) 3-Hydroxy-2-methylbenzonitrile; 2-CYANO-6-HYDROXYTOLUENE
  • SMILES N#CC1=CC=CC(O)=C1C

Synthesis

  • Route1
    • 3-Methoxy-2-methylbenzonitrile|CS-0373281
      77533-17-6
    • ~93%
    • In-stock
      3-Hydroxy-2-methylbenzonitrile|CS-0019221
      55289-04-8

    References

    • Pfizer Inc Patent: US2006/160786 A1, 2006 ; Location in patent: Page/Page column 36-37 ; US 20060160786 A1
  • Route2

    References

    • Chemische Berichte, , vol. 37, p. 1021
  • Route3
    • 3-Amino-2-methylbenzonitrile|CS-0222873
      69022-35-1
    • ~%
    • In-stock
      3-Hydroxy-2-methylbenzonitrile|CS-0019221
      55289-04-8

    References

    • Chemische Berichte, , vol. 37, p. 1021

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   44.02
  • LogP   1.5723
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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