2,6-Dimethyl-4-cyanophenol Impurity

Name: 2,6-Dimethyl-4-cyanophenol Impurity
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CAS No. 4198-90-7
Cat. No. CS-W020066
Purity≥98%
MDL No.MFCD00221716

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2,6-Dimethyl-4-cyanophenol Impurity|CS-W020066

Structure of 4198-90-7

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Description

2,6-Dimethyl-4-cyanophenol serves as a well-characterized impurity in the synthesis of certain pharmaceutical intermediates. This phenolic compound features a cyano group at the para position relative to the hydroxyl, flanked by two methyl substituents that confer steric protection and enhanced stability. The molecule exhibits good bench-stability and solubility in common organic solvents, facilitating its use in analytical method development and purity assessment workflows.

Application

2,6-Dimethyl-4-cyanophenol serves as a well-characterized impurity reference standard in the synthesis of pharmaceutical intermediates. Its structure features a phenolic hydroxyl group ortho to a cyano functionality and flanked by two methyl groups, providing enhanced stability and predictable reactivity. The compound facilitates impurity profiling and method development due to its distinct chromatographic behavior and resistance to spontaneous oxidation.

General Information

CAS No. 4198-90-7
Cat. No. CS-W020066
Purity ≥98%
MDL No. MFCD00221716
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉NO
Molecular Weight 147.17
Synonym(s) 4-Cyano-2,6-dimethylphenol
SMILES CC1=CC(C#N)=CC(C)=C1O

Computational Chemistry Data

TPSA 44.02
LogP 1.88072
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H300-H319
Precautionary Statements : P264-P264-P270-P270-P280

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Other Classifications

Building Blocks Functional Group Phenol

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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2,6-Dimethyl-4-cyanophenol Impurity

CAS No. 4198-90-7

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