Description

3-Methoxybenzonitrile (CAS No. 1527-89-5) is a high-purity organic compound with the molecular formula C₈H₇NO, widely utilized in pharmaceutical and chemical research. This aromatic nitrile derivative features a methoxy group at the meta position, offering unique reactivity for synthetic applications. Our product is rigorously tested to ensure ≥98% purity (GC), making it ideal for precision reactions, including nucleophilic substitutions, coupling reactions, and as a precursor for heterocyclic compounds. Packaged under inert gas in amber glass bottles to ensure stability, this compound is a valuable building block for medicinal chemistry, agrochemical development, and material science research. Available in quantities from grams to kilograms with customizable packaging options.

Properties

• CAS Number: 1527-89-5
• Complexity: 147
• IUPAC Name: 3-methoxybenzonitrile
• InChI: InChI=1S/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3
• InChI Key: KLXSUMLEPNAZFK-UHFFFAOYSA-N
• Exact Mass: 133.052763847
• Molecular Formula: C8H7NO
• Molecular Weight: 133.15
• SMILES: COC1=CC=CC(=C1)C#N
• Topological: 33
• Monoisotopic Mass: 133.052763847
• Synonyms: 3-METHOXYBENZONITRILE, 1527-89-5, Benzonitrile, 3-methoxy-, m-Cyanoanisole, m-Anisonitrile, m-Methoxybenzonitrile, Benzonitrile, m-methoxy-, m-Methoxybenzontrile, EINECS 216-201-3, NSC 225049, DTXSID4074695, meta-methoxybenzonitrile, m-Anisonitrile (8CI), DTXCID4034940, Benzonitrile, 3-methoxy-(9CI), 216-201-3, inchi=1/c8h7no/c1-10-8-4-2-3-7(5-8)6-9/h2-5h,1h, klxsumlepnazfk-uhfffaoysa-n, 3-Cyanoanisole, 3-methoxy benzonitrile, UY5E89BBS6, 3-anisonitrile, NSC-225049, 3-methoxybenzenecarbonitrile, 3-cyano-anisole, MFCD00001801, 5-methoxybenzonitrile, UNII-UY5E89BBS6, 3-Methoxybenzonitrile, 98%, SCHEMBL103841, SCHEMBL517988, SCHEMBL535813, SCHEMBL724609, SCHEMBL1629818, SCHEMBL6738746, HMS1725P03, CS-M0746, STR02155, NSC225049, SBB055059, STL354589, AKOS000198127, AB00159, PS-5266, AC-24362, FA106364, DB-016613, M1291, NS00024972, ST50949431, EN300-16193, Z54464103

Application

3-Methoxybenzonitrile serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and specialty chemicals. It is commonly employed in Suzuki-Miyaura cross-coupling reactions to construct biaryl systems. Researchers utilize this compound as a precursor for the synthesis of benzamides, heterocycles, and other functionalized aromatic systems. Its electron-withdrawing nitrile group and electron-donating methoxy group make it valuable for studying electronic effects in catalytic transformations.

Safety and Hazards

GHS Hazard Statements

• H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (87%): 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 (97.8%)
• Acute Tox. 4 (97.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (97.8%)
• STOT SE 3 (87%)

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