CAS 1877-72-1

3-Cyanobenzoic acid

Description:

3-Cyanobenzoic acid, also known as m-cyanobenzoic acid, is an aromatic carboxylic acid characterized by the presence of both a cyano group (-CN) and a carboxylic acid group (-COOH) attached to a benzene ring. The cyano group is positioned at the meta position relative to the carboxylic acid group, which influences its chemical reactivity and properties. This compound typically appears as a white to off-white crystalline solid and is soluble in polar organic solvents. It exhibits acidic properties due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, such as esterification and amidation. 3-Cyanobenzoic acid is utilized in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Additionally, its derivatives can serve as intermediates in the synthesis of more complex molecules. Safety precautions should be taken when handling this compound, as it may pose health risks if ingested or inhaled, and proper storage conditions should be maintained to ensure stability.

Formula: C₈H₅NO₂

InChI: InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)

InChI key: InChIKey=GYLKKXHEIIFTJH-UHFFFAOYSA-N

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

Synonyms:

• 3-Carboxybenzonitrile
• 3-Cyano benzoic acid
• 3-Cyanobenzoate
• Benzoic acid, 3-cyano-
• Benzoic acid, m-cyano-
• m-Carboxybenzonitrile
• m-Cyanobenzoic acid
• 3-Cyanobenzoic acid

3-Cyanobenzoic acid, 98+%

CAS: 1877-72-1

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 reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₈H₅NO₂

Purity: 98+%

Color and Shape: Powder, White to pale gray

Molecular weight: 147.13

Ref: 02-B23836

3-Cyanobenzoic acid

CAS: 1877-72-1

3-Cyanobenzoic acid

Formula: C₈H₅NO₂

Purity: 95%

Color and Shape: Solid-Powder

Molecular weight: 147.1308

Ref: 54-OR16147

3-Cyanobenzoic acid

CAS: 1877-72-1

Formula: C₈H₅NO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 147.1308

Ref: IN-DA003JC5

3-Cyanobenzoic acid

CAS: 1877-72-1

Formula: C₈H₅NO₂

Molecular weight: 147.13

Ref: 7W-GK1432

3-Cyanobenzoic acid

CAS: 1877-72-1

3-Cyanobenzoic acid is a chemical intermediate that is used to synthesize 3-cyanobenzamide. It is also a byproduct of the synthesis of benzonitrile and can be found in metal surface residues and environmental pollution. The molecule has two functional groups, one electron withdrawing and one electron donating, which are necessary for its stability. This compound can be found in high concentrations when it reacts with metal surfaces or organic solvents. 3-Cyanobenzamide was synthesized from 3-cyanobenzoic acid as an amide, which has been shown to have antimicrobial properties against Gram-positive bacteria such as Staphylococcus aureus, Streptococcus pyogenes and Enterococcus faecalis.

Formula: C₈H₅O₂N

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 147.13 g/mol

Ref: 3D-FC48437

3-Cyano-benzoic acid

CAS: 1877-72-1

Formula: C₈H₅NO₂

Purity: 95%

Color and Shape: Solid, White powder

Molecular weight: 147.133

Ref: 10-F300790

3-Cyanobenzoic acid

CAS: 1877-72-1

3-Cyanobenzoic acid

Formula: C₈H₅NO₂

Purity: 97%

Molecular weight: 147.13

Ref: IN-DG5787

3-Cyanobenzoic Acid

Controlled Product

CAS: 1877-72-1

Applications 3-Cyanobenzoic Acid, is a building block used for the synthesis of a variety of 3,5-disubstituted 1,2,4-oxadiazoles from carboxylic acids, that can be used for the synthesis of a metabotropic glutamate subtype 5 (mGlu5) receptor antagonist.
References Ramu, T., et al.: Chem. Lett., 42, 722 (2013);

Formula: C₈H₅NO₂

Color and Shape: Neat

Molecular weight: 147.13

Ref: TR-C962320

3-Cyanobenzoic Acid

CAS: 1877-72-1

Formula: C₈H₅NO₂

Purity: >98.0%(GC)(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 147.13

Ref: 3B-C0446