CAS 2571-54-2

2,4,6-Trimethoxybenzonitrile

Description:

2,4,6-Trimethoxybenzonitrile, with the CAS number 2571-54-2, is an organic compound characterized by the presence of a benzene ring substituted with three methoxy groups (-OCH3) at the 2, 4, and 6 positions, along with a nitrile group (-CN) at the 1 position. This compound is typically a white to off-white solid and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water due to its hydrophobic methoxy groups. The presence of the nitrile functional group contributes to its reactivity, making it useful in various chemical syntheses and applications in organic chemistry. The methoxy groups enhance the electron density of the aromatic ring, potentially influencing its reactivity and interactions with other chemical species. 2,4,6-Trimethoxybenzonitrile may be utilized in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals, owing to its unique structural features and functional properties. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₀H₁₁NO₃

InChI: InChI=1S/C10H11NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,1-3H3

InChI key: InChIKey=GBRHJUMDNWLSCT-UHFFFAOYSA-N

SMILES: C(#N)C1=C(OC)C=C(OC)C=C1OC

Synonyms:

• 2,4,6-Trimethoxy benzonitrile
• Benzonitrile, 2,4,6-trimethoxy-
• 2,4,6-Trimethoxybenzonitrile

2,4,6-Trimethoxybenzonitrile, 98%

CAS: 2571-54-2

2,4,6-Trimethoxybenzonitrile is used as pharmaceutical intermediates. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU ref

Formula: C₁₀H₁₁NO₃

Purity: 98%

Color and Shape: Crystals or powder or crystalline powder, White to pale brown or pale orange

Molecular weight: 193.20

Ref: 02-B23540

2,4,6-Trimethoxybenzonitrile

CAS: 2571-54-2

Formula: C₁₀H₁₁NO₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 193.1992

Ref: IN-DA003FNH

2,4,6-Trimethoxybenzonitrile

CAS: 2571-54-2

2,4,6-Trimethoxybenzonitrile is a ligand that forms coordination complexes with metal ions. It can be used to make N-oxide compounds and reaction products with aryl chlorides. The 2,4,6-trimethoxybenzonitrile ligand has been shown to form cross-coupling complexes with benzotriazolyl. This compound is soluble in organic solvents and has a vapor pressure of 0.0025 mm Hg at 25°C. The molecular weight of this compound is 196.2 g/mol and its melting point is 190°C. 2,4,6-Trimethoxybenzonitrile has a symmetric molecule in the gas phase and an asymmetric molecule in solution due to the interactions of hydrogen bonding and van der Waals forces.

Formula: C₁₀H₁₁NO₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 193.2 g/mol

Ref: 3D-FT70726