CAS 50685-26-2

4-(Cyanomethyl)benzoic acid

Description:

4-(Cyanomethyl)benzoic acid, with the CAS number 50685-26-2, is an organic compound characterized by the presence of both a benzoic acid moiety and a cyanomethyl group. This compound features a carboxylic acid functional group (-COOH) attached to a benzene ring, which is further substituted at the para position with a cyanomethyl group (-CH2-C≡N). The presence of the cyano group imparts notable polarity and potential reactivity, making it useful in various chemical syntheses and applications. The compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to its functional groups. Its properties, such as melting point, boiling point, and reactivity, can vary based on environmental conditions and the presence of other substances. 4-(Cyanomethyl)benzoic acid can be utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, owing to its ability to participate in various chemical reactions, including nucleophilic substitutions and coupling reactions.

Formula: C₉H₇NO₂

InChI: InChI=1/C9H7NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5H2,(H,11,12)

SMILES: c1cc(ccc1CC#N)C(=O)O

Synonyms:

• Benzoic Acid, 4-(Cyanomethyl)-
• 4-Carboxy phenyl acetonitrile
• 4-(Cyanomethyl)benzoic Acid

Benzoic acid,4-(cyanomethyl)-

CAS: 50685-26-2

Formula: C₉H₇NO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 161.1574

Ref: IN-DA0038P3

4-(Cyanomethyl)benzoic acid

CAS: 50685-26-2

4-(Cyanomethyl)benzoic acid

Formula: C₉H₇NO₂

Purity: 97%

Color and Shape: off-white/faint yellow crystalline solid

Molecular weight: 161.16g/mol

Ref: 54-OR16985

4-(Cyanomethyl)benzoic acid

CAS: 50685-26-2

Formula: C₉H₇NO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 161.16

Ref: 10-F065659

4-(Cyanomethyl)benzoic acid

CAS: 50685-26-2

4-(Cyanomethyl)benzoic acid is a photocurrent generating molecule that has been shown to be an efficient acceptor in organic photovoltaic devices. It is also used as a sensitizer for the production of benzothiadiazole. The functional theory behind this reaction is that 4-(Cyanomethyl)benzoic acid first acts as an electron acceptor and then becomes a proton donor by accepting hydrogen from benzonitrile, which leads to the formation of benzothiadiazole. The bathochromic shift of the absorption spectrum of 4-(Cyanomethyl)benzoic acid was observed due to the presence of benzothiadiazole. This molecule can be used for solar cells because it contains a dipole, which facilitates charge separation and recombination in solar cells.

Formula: C₉H₇NO₂

Purity: Min. 95%

Molecular weight: 161.16 g/mol

Ref: 3D-ACA68526