Description

2,3,4,5-Tetrafluorobenzonitrile (CAS No. 16582-93-7) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇HF₄N. This specialty chemical features a benzene ring tetra-substituted with fluorine atoms and a nitrile functional group, offering unique reactivity for advanced synthetic applications. With a molecular weight of 163.08 g/mol, this compound is supplied as a clear to pale-yellow liquid or low-melting solid (exact physical state depends on storage conditions). Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science research due to its electron-withdrawing properties and ability to participate in nucleophilic aromatic substitution reactions. Packaged under inert gas to ensure stability and shipped with detailed technical data including ¹H NMR, ¹⁹F NMR, and GC-MS analysis reports. Store in cool, dry conditions away from strong bases and reducing agents.

Properties

• CAS Number: 16582-93-7
• Complexity: 211
• IUPAC Name: 2,3,4,5-tetrafluorobenzonitrile
• InChI: InChI=1S/C7HF4N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H
• InChI Key: GLTGXIGJLCSEAM-UHFFFAOYSA-N
• Exact Mass: 175.00451168
• Molecular Formula: C7HF4N
• Molecular Weight: 175.08
• SMILES: C1=C(C(=C(C(=C1F)F)F)F)C#N
• Topological: 23.8
• Monoisotopic Mass: 175.00451168
• Synonyms: 2,3,4,5-Tetrafluorobenzonitrile, 16582-93-7, GLTGXIGJLCSEAM-UHFFFAOYSA-, DTXSID00344895, DTXCID60295970, 630-630-7, gltgxigjlcseam-uhfffaoysa-n, inchi=1/c7hf4n/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1h, 2,3,4,5-tetrafluorobenzenecarbonitrile, MFCD00040187, tetrafluorobenzonitrile, SCHEMBL809090, SCHEMBL6591105, SBB063897, AKOS005257983, AS-33163, DB-019642, CS-0121657, ST51041502, T1882

Application

2,3,4,5-Tetrafluorobenzonitrile serves as a key building block in the synthesis of fluorinated liquid crystals for display technologies. The compound is widely utilized in pharmaceutical research for creating fluorinated analogs of drug molecules to enhance metabolic stability. Its electron-deficient aromatic ring makes it valuable for constructing advanced materials with tailored electronic properties, including organic semiconductors and photovoltaic materials.

Safety and Hazards

GHS Hazard Statements

• H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (11.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (88.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (97.7%)
• Acute Tox. 3 (11.4%)
• Acute Tox. 4 (88.6%)
• Skin Irrit. 2 (13.6%)
• Eye Irrit. 2 (13.6%)
• Acute Tox. 4 (97.7%)

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