CAS 39055-82-8

5-Acetyl-2-hydroxybenzonitrile

Description:

5-Acetyl-2-hydroxybenzonitrile, with the CAS number 39055-82-8, is an organic compound characterized by its aromatic structure, which includes a hydroxyl group (-OH), an acetyl group (-COCH3), and a nitrile group (-CN) attached to a benzene ring. This compound typically appears as a solid and is soluble in organic solvents, reflecting its polar functional groups. The presence of the hydroxyl group contributes to its potential as a hydrogen bond donor, while the nitrile group can participate in various chemical reactions, including nucleophilic additions. The acetyl group enhances the compound's reactivity and can influence its electronic properties. 5-Acetyl-2-hydroxybenzonitrile may be utilized in organic synthesis, pharmaceuticals, or as an intermediate in the production of dyes and other chemical products. Its specific reactivity and applications can vary based on the conditions under which it is used, including temperature, solvent, and the presence of catalysts. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₉H₇NO₂

InChI: InChI=1S/C9H7NO2/c1-6(11)7-2-3-9(12)8(4-7)5-10/h2-4,12H,1H3

InChI key: InChIKey=KKWTUSTUKXYQHP-UHFFFAOYSA-N

SMILES: C(#N)C1=CC(C(C)=O)=CC=C1O

Synonyms:

• 5-Acetylsalicylonitrile
• Benzonitrile, 5-acetyl-2-hydroxy-
• 5-Acetyl-2-hydroxybenzonitrile
• 1-(3-Cyano-4-hydroxyphenyl)ethanone

5-Acetyl-2-hydroxybenzonitrile

CAS: 39055-82-8

Formula: C₉H₇NO₂

Molecular weight: 161.1574

Ref: IN-DA00CAH1

5-Acetyl-2-hydroxybenzonitrile

CAS: 39055-82-8

5-Acetyl-2-hydroxybenzonitrile

Purity: ≥95%

Color and Shape: Solid

Molecular weight: 161.16g/mol

Ref: 54-OR54506

5-Acetyl-2-hydroxybenzonitrile

CAS: 39055-82-8

5-Acetyl-2-hydroxybenzonitrile (5AHB) is a fluorophore that has been used as an exploratory reagent in photochemistry and fluorescence. This compound is a radical mechanism and belongs to the family of benzenes. The quantum yield for 5AHB has been measured at 1.4% in single molecule experiments and 4% in bulk experiments. The mechanistic studies have shown that it is a radiation sensitive compound with a short half life, which can be explained by its photolytic properties. 5AHB has also been shown to be an efficient photosensitizer, which can be used to generate singlet oxygen that can be used as an oxidizing agent or electron donor in photochemical reactions.

Formula: C₉H₇NO₂

Purity: Min. 95%

Molecular weight: 161.16 g/mol

Ref: 3D-PBA05582