Description

Cyanuric Fluoride (CAS No. 675-14-9) is a highly reactive fluorinated triazine compound with the molecular formula C₃F₃N₃. Its IUPAC name is 2,4,6-trifluoro-1,3,5-triazine, and it is widely recognized for its role as a versatile fluorinating and trifluoromethylating agent in organic synthesis. This colorless to pale-yellow liquid exhibits a pungent odor and must be handled under inert conditions due to its moisture sensitivity and reactivity. Cyanuric fluoride is a critical intermediate in pharmaceuticals, agrochemicals, and specialty materials, particularly in the synthesis of fluorine-containing heterocycles and polymers. Its high purity (>98%) makes it ideal for precision applications in research and industrial settings. Proper storage in sealed, corrosion-resistant containers under dry, cool conditions is essential to maintain stability.

Properties

• CAS Number: 675-14-9
• Complexity: 69.3
• IUPAC Name: 2,4,6-trifluoro-1,3,5-triazine
• InChI: InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1
• InChI Key: VMKJWLXVLHBJNK-UHFFFAOYSA-N
• Exact Mass: 135.00443150
• Molecular Formula: C3F3N3
• Molecular Weight: 135.05
• SMILES: C1(=NC(=NC(=N1)F)F)F
• Topological: 38.7
• Monoisotopic Mass: 135.00443150
• Physical Description: Cyanuric fluoride is a liquid.
• Color/Form: Colorless
• Boiling Point: 72.8 °C
• Melting Point: -38 °C
• Density: 1.60 at 25 °C/4 °C
• Refractive Index: Index of refraction: 1.3844 at 24 °C/D
• Synonyms: CYANURIC FLUORIDE, 2,4,6-Trifluoro-1,3,5-triazine, Trifluorotriazine, Trifluoro-s-triazine, Cyanuric trifluoride, 2,4,6-Trifluoro-s-triazine, s-Triazine, 2,4,6-trifluoro-, 1,3,5-Triazine, 2,4,6-trifluoro-, 2,4,6-Trifluoro-sym-triazine, s-Triazine, 2,4,6-trifluro-, HSDB 6406, 2,4,6-Trifluorotriazine, UNII-31KW4S5FBB, Trifluoro-1,3,5-triazine, EINECS 211-620-8, 31KW4S5FBB, NSC 168386, BRN 0124237, NSC-168386, CYANURIC FLUORIDE [MI], DTXSID6060975, 5-26-01-00310 (Beilstein Handbook Reference), 1,3,5-TRIFLUORO-2,4,6-TRIAZINE, Trifluorostriazine, 2,4,6Trifluorostriazine, sTriazine, 2,4,6trifluro, 2,4,6Trifluoro1,3,5triazine, DTXCID2044896, 1,3,5Triazine, 2,4,6trifluoro, inchi=1/c3f3n3/c4-1-7-2(5)9-3(6)8-, vmkjwlxvlhbjnk-uhfffaoysa-n, 675-14-9, MFCD00014597, cyanuryl fluoride, C3F3N3, 2,6-Trifluoro-s-triazine, s-Triazine,4,6-trifluoro-, SCHEMBL182368, 2,6-Trifluoro-1,3,5-triazine, WLN: T6N CN ENJ BF DF FF, 2,4,6-trifluor-1,3,5-triazine, 1,5-Triazine, 2,4,6-trifluoro-, NSC168386, AKOS006222088, AT23265, CS-W013362, 2,4,6-tris(fluoranyl)-1,3,5-triazine, AC-11696, DB-011525, NS00041938, A835783, Q5197491

Application

Cyanuric fluoride is extensively used as a fluorinating agent in organic synthesis, enabling the introduction of fluorine atoms into complex molecules for pharmaceutical and agrochemical applications. It serves as a key precursor in the preparation of fluorinated triazine derivatives, which are valuable in materials science for creating heat-resistant polymers and coatings. Additionally, its reactivity with nucleophiles makes it useful in cross-coupling reactions and the development of advanced electronic materials.

Safety and Hazards

GHS Hazard Statements

• H310+H330 (16.7%): Fatal in contact with skin or if inhaled [Danger Acute toxicity, dermal; acute toxicity, inhalation]
• H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P361+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 2 (100%)
• Skin Corr. 1A (100%)
• Eye Dam. 1 (16.7%)
• Acute Tox. 1 (100%)

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