Description

2-Fluoro-4-methoxybenzonitrile (CAS No. 94610-82-9) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₈H₆FNO. This versatile intermediate features a fluorine substituent at the 2-position and a methoxy group at the 4-position of the benzonitrile scaffold, offering unique electronic and steric properties for advanced synthetic applications. With a molecular weight of 151.14 g/mol, this building block is particularly valuable in pharmaceutical research, agrochemical development, and materials science. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency in quality. Ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for heterocyclic synthesis. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 94610-82-9
• Complexity: 174
• IUPAC Name: 2-fluoro-4-methoxy-benzonitrile
• InChI: InChI=1S/C8H6FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
• InChI Key: HWKUZTFIZATJPM-UHFFFAOYSA-N
• Exact Mass: 151.043341977
• Molecular Formula: C8H6FNO
• Molecular Weight: 151.14
• SMILES: COC1=CC(=C(C=C1)C#N)F
• Topological: 33
• Monoisotopic Mass: 151.043341977
• Synonyms: 2-fluoro-4-methoxybenzonitrile, 94610-82-9, benzonitrile, 2-fluoro-4-methoxy-, DTXSID20348678, DTXCID00299750, 619-054-7, inchi=1/c8h6fno/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4h,1h, 3-fluoro-4-cyanoanisole, 3-FLUORO-4-CYANO ANISOLE, MFCD00509374, 2-fluoro-4-methoxybenzenecarbonitrile, 4-Cyano-3-fluoroanisole, 2-Fluoro-4-methoxy-benzonitrile, SCHEMBL2539986, SCHEMBL2539990, SCHEMBL27502994, SCHEMBL29212775, HWKUZTFIZATJPM-UHFFFAOYSA-N, SBB055495, AKOS006343216, AC-4076, CS-W008288, FF36936, FS-1326, SY103944, DB-008199, ST50949974, EN300-106135, Z1160930711

Application

2-Fluoro-4-methoxybenzonitrile serves as a key intermediate in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and GPCR-targeting pharmaceuticals. Its electron-withdrawing nitrile group and fluorine substituent make it valuable for constructing pharmacophores in drug discovery programs. The compound is also employed in materials science for designing liquid crystals and photoactive polymers. Researchers utilize this building block in Pd-catalyzed cross-coupling reactions to create complex aromatic systems.

Safety and Hazards

GHS Hazard Statements

• H301 (18.2%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (81.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (18.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (54.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (81.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (81.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (18.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (63.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (81.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (18.2%)
• Acute Tox. 4 (81.8%)
• Acute Tox. 3 (18.2%)
• Acute Tox. 4 (54.5%)
• Skin Irrit. 2 (81.8%)
• Eye Irrit. 2A (81.8%)
• Acute Tox. 3 (18.2%)
• Acute Tox. 4 (63.6%)
• STOT SE 3 (81.8%)

If you are interested or have any questions, please contact us at support@atomfair.com

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