Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

3-Hydroxy-5-methylbenzonitrile

  • CAS No. 95658-81-4

  • Cat. No. CS-0040124
  • Purity≥98%
  • MDL No.MFCD16999137

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

3-Hydroxy-5-methylbenzonitrile|CS-0040124

Structure of 95658-81-4

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 95658-81-4
  • Cat. No. CS-0040124
  • Purity ≥98%
  • MDL No. MFCD16999137
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) 3-Cyano-5-methylphenol
  • SMILES N#CC1=CC(C)=CC(O)=C1

Description

3-Hydroxy-5-methylbenzonitrile features a hydroxyl group flanked by a methyl substituent and a nitrile moiety on a benzene ring, enabling diverse functionalization. This electron-deficient aromatic scaffold supports efficient coupling reactions and serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals.

Application

3-Hydroxy-5-methylbenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted benzenoid scaffolds through standard functional group manipulations. Its hydroxyl and nitrile groups offer orthogonal reactivity for derivatization via esterification, amidation, or reduction, while the methyl substituent provides a handle for selective oxidation or electrophilic substitution. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry lead optimization and process development workflows.

Synthesis

  • Route1

    References

    • GILEAD SCIENCES, INC.; KOREAN RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY Patent: WO2009/5674 A2, 2009 ; Location in patent: Page/Page column 423; 424 ;
  • Route2
    • null|null
      872286-49-2
    • ~%
    • In-stock
      3-Hydroxy-5-methylbenzonitrile|CS-0040124
      95658-81-4

    References

    • Journal of the Chemical Society, , p. 885,889
  • Route3

    References

    • Journal of the Chemical Society, , p. 885,889

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

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

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

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 3-Hydroxy-5-methylbenzonitrile sigma3-Hydroxy-5-methylbenzonitrile manufacturer3-Hydroxy-5-methylbenzonitrile price3-Hydroxy-5-methylbenzonitrile structure3-Hydroxy-5-methylbenzonitrile SDSbuy 3-Hydroxy-5-methylbenzonitrile3-Hydroxy-5-methylbenzonitrile supplier3-Hydroxy-5-methylbenzonitrile uses3-Hydroxy-5-methylbenzonitrile molecular weightprice of 3-Hydroxy-5-methylbenzonitrile3-Hydroxy-5-methylbenzonitrile chemical name formula of 3-Hydroxy-5-methylbenzonitrile
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label