CAS 58537-99-8

4-Hydroxy-2,6-dimethylbenzonitrile

Description:

4-Hydroxy-2,6-dimethylbenzonitrile, with the CAS number 58537-99-8, is an organic compound characterized by its aromatic structure, which includes a hydroxyl group (-OH) and a nitrile group (-C≡N) attached to a benzene ring. The presence of the hydroxyl group contributes to its potential as a phenolic compound, influencing its reactivity and solubility in polar solvents. The two methyl groups at the 2 and 6 positions of the benzene ring provide steric hindrance and can affect the compound's physical properties, such as melting and boiling points, as well as its overall stability. This compound may exhibit various chemical behaviors, including hydrogen bonding due to the hydroxyl group, and it can participate in electrophilic substitution reactions typical of aromatic compounds. Additionally, its nitrile functionality may allow for further chemical transformations, making it of interest in synthetic organic chemistry and potentially in pharmaceutical applications. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₉H₉NO

InChI: InChI=1S/C9H9NO/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,11H,1-2H3

InChI key: InChIKey=KZEJTKHRBQWACL-UHFFFAOYSA-N

SMILES: C(#N)C1=C(C)C=C(O)C=C1C

Synonyms:

• 2,6-Dimethyl-4-hydroxybenzonitrile
• 4-Cyano-3,5-dimethylphenol
• Benzonitrile, 4-hydroxy-2,6-dimethyl-
• 4-Hydroxy-2,6-dimethylbenzonitrile

4-Hydroxy-2,6-diMethylbenzonitrile

CAS: 58537-99-8

Formula: C₉H₉NO

Purity: 98%

Color and Shape: Solid

Molecular weight: 147.1739

Ref: IN-DA003LHG

2,6-Dimethyl-4-hydroxybenzonitrile

CAS: 58537-99-8

2,6-Dimethyl-4-hydroxybenzonitrile

Formula: C₉H₉NO

Purity: ≥95%

Color and Shape: off-white / beige crystalline powder

Molecular weight: 147.17g/mol

Ref: 54-OR26855

2,6-Dimethyl-4-hydroxybenzonitrile

CAS: 58537-99-8

2,6-Dimethyl-4-hydroxybenzonitrile is a chemical compound that belongs to the group of organic compounds. It has a chemical formula CH3C6H2OCH2CH2OH. This compound is also known as methylsulfide. 2,6-Dimethyl-4-hydroxybenzonitrile is an alkylating agent that can be used in the synthesis of other organic compounds. In addition, it has been shown to have some acidic properties. This chemical compound has been studied by molecular modeling and regression analysis to determine its structure and reactivity. It was found that the polarizability constant of 2,6-dimethyl-4-hydroxybenzonitrile was 0.058 D from an experiment using potassium t-butoxide as a solvent with a constant of 1 Molar (M). The interpretable stepwise regression model for this chemical had an R value of 0.87 with a F value of

Formula: C₉H₉NO

Purity: Min. 95%

Molecular weight: 147.17 g/mol

Ref: 3D-FD64143

4-Hydroxy-2,6-dimethylbenzonitrile

CAS: 58537-99-8

Formula: C₉H₉NO

Purity: 98%

Molecular weight: 147.177

Ref: 10-F067931