Description

3-Cyano-4-hydroxybenzoic acid (CAS No. 70829-28-6) is a high-purity organic compound with the molecular formula C₈H₅NO₃. This fine chemical features a benzoic acid core substituted with a cyano (-CN) group at the 3-position and a hydroxyl (-OH) group at the 4-position, making it a valuable intermediate in synthetic organic chemistry. With an IUPAC name of 3-cyano-4-hydroxybenzoic acid, this compound is supplied as a white to off-white crystalline powder, ensuring consistent performance in research applications. It is ideal for use in pharmaceutical development, material science, and as a building block for more complex heterocyclic compounds. Our product undergoes rigorous quality control to meet the demands of researchers and scientists requiring precise and reliable reagents.

Properties

• CAS Number: 70829-28-6
• Complexity: 230
• IUPAC Name: 3-cyano-4-hydroxy-benzoic acid
• InChI: InChI=1S/C8H5NO3/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3,10H,(H,11,12)
• InChI Key: KUCSFDLSLAVLBY-UHFFFAOYSA-N
• Exact Mass: 163.026943022
• Molecular Formula: C8H5NO3
• Molecular Weight: 163.13
• SMILES: C1=CC(=C(C=C1C(=O)O)C#N)O
• Topological: 81.3
• Monoisotopic Mass: 163.026943022
• Synonyms: 3-Cyano-4-hydroxybenzoic Acid, Benzoic acid, 3-cyano-4-hydroxy-, 2PTA3WT4SI, UNII-2PTA3WT4SI, RP112533, RP-112533, DTXSID20456505, DTXCID10407324, 630-081-3, 70829-28-6, MFCD09998350, 3-Cyano-4-hydroxybenzoicAcid, SCHEMBL106260, 4-Hydroxy-3-cyanobenzoic acid, KUCSFDLSLAVLBY-UHFFFAOYSA-N, BCP28268, AKOS015836092, MB08388, DS-11719, SY104313, DB-014269, CS-0043856

Application

3-Cyano-4-hydroxybenzoic acid serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its functional groups make it suitable for further derivatization, including esterification, amidation, or cyclization reactions. Researchers utilize this compound in the development of novel dyes, coordination polymers, and bioactive molecules due to its electron-withdrawing cyano group and acidic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (50%)
• Eye Dam. 1 (50%)
• Acute Tox. 4 (100%)
• STOT SE 3 (50%)

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