Description

4-Cyanobenzoic Acid (CAS No. 619-65-8) is a high-purity organic compound with the molecular formula C₈H₅NO₂. This white to off-white crystalline powder is a versatile intermediate in organic synthesis and pharmaceutical research. With an IUPAC name of 4-cyanobenzoic acid, this compound features both a carboxylic acid and a nitrile functional group on a benzene ring, making it valuable for conjugation reactions, polymer synthesis, and as a building block for more complex molecules. Our product is rigorously tested for purity and consistency, ensuring optimal performance in your applications. Available in various packaging options to suit laboratory and bulk-scale needs.

Properties

• CAS Number: 619-65-8
• Complexity: 195
• IUPAC Name: 4-cyanobenzoic acid
• InChI: InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
• InChI Key: ADCUEPOHPCPMCE-UHFFFAOYSA-N
• Exact Mass: 147.032028402
• Molecular Formula: C8H5NO2
• Molecular Weight: 147.13
• SMILES: C1=CC(=CC=C1C#N)C(=O)O
• Topological: 61.1
• Monoisotopic Mass: 147.032028402
• Synonyms: 4-CYANOBENZOIC ACID, 619-65-8, p-Cyanobenzoic acid, Benzoic acid, 4-cyano-, p-Carboxybenzonitrile, Benzoic acid, p-cyano-, 4-Carboxybenzonitrile, DTXSID9041659, NSC 6306, NSC-6306, EINECS 210-606-9, 50Z9A3423Z, CYANOBENZOIC ACID, P-, CYANOBENZOIC ACID, 4-, DTXCID7021659, Benzoic acid, p-cyano-(8CI), 210-606-9, inchi=1/c8h5no2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4h,(h,10,11, 4-Cyano-benzoic acid, MFCD00002528, Terephthalic acid mononitrile, 4-cyano benzoic acid, UNII-50Z9A3423Z, p-Cyanobenzoic Acid; 4-Carboxybenzonitrile; NSC 6306; p-Carboxybenzonitrile; p-Cyanobenzoic Acid;, Terephthalic mononitrile, 4-Cyanobenzoic acid (3), 4-Cyanobenzoic acid, 99%, SCHEMBL216706, CHEMBL101772, SCHEMBL2163556, SCHEMBL28234649, NSC6306, BDBM239164, BCP28910, STR03453, Tox21_302120, CK2166, SBB008570, STL164357, AKOS000119707, AC-2506, FC10902, PS-4038, NCGC00255602-01, BP-11677, CAS-619-65-8, DB-054033, NS00034868, ST50824065, EN300-19927, AC-907/25014365, Q27260843, F2191-0086, Z104476114, p-Cyanobenzoic acid;Benzoic acid, 4-cyano-;p-Carboxybenzonitrile

Application

4-Cyanobenzoic acid serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and liquid crystal materials. Its dual functionality makes it valuable for coupling reactions in peptide synthesis and polymer chemistry. Researchers utilize this compound in the development of advanced organic frameworks and coordination polymers. It’s also employed as a precursor for dyes and photoactive materials.

Safety and Hazards

GHS Hazard Statements

• H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (89.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (89.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.9%)
• Acute Tox. 4 (89.4%)
• Skin Irrit. 2 (97.9%)
• Eye Irrit. 2 (97.9%)
• Acute Tox. 4 (89.4%)
• STOT SE 3 (95.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.