3-Hydroxy-5-methylbenzonitrile

Name: 3-Hydroxy-5-methylbenzonitrile
Brand: ChemScene
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CAS No. 95658-81-4
Cat. No. CS-0040124
Purity≥98%
MDL No.MFCD16999137

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-Hydroxy-5-methylbenzonitrile|CS-0040124

Structure of 95658-81-4

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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.

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

Computational Chemistry Data

TPSA 44.02
LogP 1.5723
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Hydroxy-5-methylbenzonitrile

CAS No. 95658-81-4

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