Description

2,3,5,6-Tetrafluorobenzonitrile (CAS No. 5216-17-1) is a high-purity fluorinated aromatic compound with the molecular formula C₇HF₄N. This specialized chemical features a benzonitrile core substituted with four fluorine atoms at the 2, 3, 5, and 6 positions, offering unique reactivity and electronic properties. With a molecular weight of 175.08 g/mol, it is widely utilized in advanced organic synthesis, pharmaceutical intermediates, and materials science applications. Our product is rigorously tested to ensure ≥98% purity (GC), with low levels of impurities, making it ideal for sensitive research and industrial processes. Available in sealed glass vials or bulk quantities, stored under inert conditions to maintain stability.

Properties

• CAS Number: 5216-17-1
• Complexity: 197
• IUPAC Name: 2,3,5,6-tetrafluorobenzonitrile
• InChI: InChI=1S/C7HF4N/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1H
• InChI Key: IOQMWOBRUDNEOA-UHFFFAOYSA-N
• Exact Mass: 175.00451168
• Molecular Formula: C7HF4N
• Molecular Weight: 175.08
• SMILES: C1=C(C(=C(C(=C1F)F)C#N)F)F
• Topological: 23.8
• Monoisotopic Mass: 175.00451168
• Synonyms: 2,3,5,6-Tetrafluorobenzonitrile, DTXSID50304989, DTXCID40256120, 620-903-9, 5216-17-1, MFCD00012286, 2,3,5,6-tetrafluorobenzenecarbonitrile, NSC168722, SCHEMBL149649, SCHEMBL809118, IOQMWOBRUDNEOA-UHFFFAOYSA-N, 2,3,5,6-tetrafluoro-benzonitrile, SBB088995, AKOS005257979, NSC-168722, PS-10130, SY049391, DB-052080, CS-0157889, ST50307854, T1857, N12018

Application

2,3,5,6-Tetrafluorobenzonitrile serves as a key building block in the synthesis of fluorinated pharmaceuticals, agrochemicals, and liquid crystals. Its electron-deficient aromatic ring makes it valuable in cross-coupling reactions and as a precursor for ligands in catalysis. The compound is also employed in the development of advanced polymers and electronic materials due to its thermal stability and unique polarity. Researchers leverage its fluorination pattern for designing bioactive molecules with enhanced metabolic resistance.

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (88.6%): 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+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. 4 (97.7%)
• Acute Tox. 3 (11.4%)
• Acute Tox. 4 (88.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (97.7%)
• STOT SE 3 (88.6%)

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