Description

Tetrafluorophthalonitrile (CAS No. 1835-65-0) is a high-purity fluorinated aromatic compound with the molecular formula C₈F₄N₂ and IUPAC name 3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile. This specialty chemical features a benzene core substituted with four fluorine atoms and two nitrile groups, offering exceptional thermal stability, chemical resistance, and reactivity for advanced synthetic applications. Its electron-deficient structure makes it a valuable precursor for high-performance polymers, liquid crystals, and coordination chemistry. Available in crystalline form with ≥98% purity (GC), it is rigorously tested for consistency and suitability in sensitive research and industrial processes. Proper handling under inert conditions is recommended due to its reactivity.

Properties

• CAS Number: 1835-65-0
• Complexity: 282
• IUPAC Name: 3,4,5,6-tetrafluorophthalonitrile
• InChI: InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
• InChI Key: OFLRJMBSWDXSPG-UHFFFAOYSA-N
• Exact Mass: 199.99976066
• Molecular Formula: C8F4N2
• Molecular Weight: 200.09
• SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)C#N
• Topological: 47.6
• Monoisotopic Mass: 199.99976066
• Synonyms: Tetrafluorophthalonitrile, 1835-65-0, 3,4,5,6-Tetrafluorobenzene-1,2-dicarbonitrile, EINECS 217-400-8, DTXSID6075142, 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile, DTXCID3035840, 217-400-8, inchi=1/c8f4n2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)1, oflrjmbswdxspg-uhfffaoysa-n, 3,4,5,6-Tetrafluorophthalonitrile, 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrafluoro-, 1,2-Dicyano-3,4,5,6-tetrafluorobenzene, MFCD00001774, tetrafluorobenzene-1,2-dicarbonitrile, SCHEMBL809214, Tetrafluorophthalonitrile, 95%, CHEMBL4949346, SBB064346, 3,4,5,6-Tetrafluorophthalonitrile #, AKOS015853132, AC-9845, CS-W001926, 3, 4, 5, 6-Tetrafluorophthalonitrile, DS-14550, SY016221, 3,4,5,6-Tetrafluoro-1,2-dicyanobenzene, DB-128116, NS00046971, ST50997575, T1402, A22160, EN300-115876, Z1269112133, 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrafluoro-;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile

Application

Tetrafluorophthalonitrile serves as a key monomer in the synthesis of fluorinated phthalocyanines for dyes, pigments, and organic semiconductors. It is used in the development of high-temperature polymers and liquid crystal displays (LCDs) due to its thermal stability. Researchers also employ it as a building block for metal-organic frameworks (MOFs) and catalysts in cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (97.6%): 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 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.6%): 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 (97.6%)
• Acute Tox. 4 (97.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (97.6%)
• STOT SE 3 (97.6%)

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