Description

2,4,6-Trifluorobenzonitrile (CAS No. 96606-37-0) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇H₂F₃N. This specialty chemical is widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material research due to its unique trifluorinated aromatic structure, which enhances reactivity and stability in various chemical transformations. Our product is rigorously tested to ensure ≥97% purity, making it ideal for precision applications in medicinal chemistry, ligand design, and cross-coupling reactions. Packaged under inert conditions to maintain integrity, this compound is an essential building block for researchers and industrial scientists seeking reliable performance in fluorinated intermediates.

Properties

• CAS Number: 96606-37-0
• Complexity: 173
• IUPAC Name: 2,4,6-trifluorobenzonitrile
• InChI: InChI=1S/C7H2F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
• InChI Key: HTKFGTCCOJIUIK-UHFFFAOYSA-N
• Exact Mass: 157.01393355
• Molecular Formula: C7H2F3N
• Molecular Weight: 157.09
• SMILES: C1=C(C=C(C(=C1F)C#N)F)F
• Topological: 23.8
• Monoisotopic Mass: 157.01393355
• Synonyms: 2,4,6-Trifluorobenzonitrile, 96606-37-0, DTXSID80353182, DTXCID30304245, 642-872-0, MFCD00042399, 103498-69-7, Benzonitrile, 2,4,6-trifluoro-, radical ion(1-) (9CI), 2,4,6-trifluorobenzenecarbonitrile, Benzonitrile, 2,4,6-trifluoro-, SCHEMBL185766, 2,4,6-trifluoro-benzonitrile, 2,4,6-Ditrfluoro-benzonitrile, SCHEMBL17110616, BCP13068, 2,4,6-Trifluorobenzonitrile, 97%, BBL102000, CK2158, SBB064041, STL555797, AKOS005762911, AC-4107, CS-W017738, AS-45869, SY006748, DB-019830, ST50307855, T1908, EN300-125463

2,4,6-Trifluorobenzonitrile serves as a versatile intermediate in the synthesis of pharmaceuticals, particularly in the development of fluorinated active ingredients. It is employed in Suzuki-Miyaura and other cross-coupling reactions to introduce trifluoromethylphenyl motifs into complex molecules. Additionally, its electron-deficient aromatic ring makes it valuable in agrochemical research for designing herbicides and pesticides. The compound is also explored in materials science for creating fluorinated polymers with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (28.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (71.4%): 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]
• H331 (28.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (71.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (85.7%): 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 (28.6%)
• Acute Tox. 4 (71.4%)
• Acute Tox. 3 (28.6%)
• Acute Tox. 4 (71.4%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 3 (28.6%)
• Acute Tox. 4 (71.4%)
• STOT SE 3 (85.7%)

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