Description

2,4,5-Trifluorobenzonitrile (CAS No. 98349-22-5) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇H₂F₃N. This specialty chemical is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique trifluorinated benzene backbone and reactive nitrile group. Our product is synthesized under stringent quality controls to ensure >98% purity (GC), with rigorous testing for moisture, heavy metals, and other impurities. Supplied as a white to off-white crystalline powder or solid, it is packaged under inert conditions to ensure stability. Ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a building block for advanced fluorinated compounds. Available in research quantities (100mg, 500mg, 1g, 5g) with optional custom bulk packaging.

Properties

• CAS Number: 98349-22-5
• Complexity: 185
• IUPAC Name: 2,4,5-trifluorobenzonitrile
• InChI: InChI=1S/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
• InChI Key: DLKNOGQOOZFICZ-UHFFFAOYSA-N
• Exact Mass: 157.01393355
• Molecular Formula: C7H2F3N
• Molecular Weight: 157.09
• SMILES: C1=C(C(=CC(=C1F)F)F)C#N
• Topological: 23.8
• Monoisotopic Mass: 157.01393355
• Synonyms: 2,4,5-Trifluorobenzonitrile, 98349-22-5, DLKNOGQOOZFICZ-UHFFFAOYSA-, DTXSID50344002, DTXCID80295078, 619-339-6, dlknogqoozficz-uhfffaoysa-n, inchi=1/c7h2f3n/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2h, MFCD00013289, 2,4,5-trifluorobenzenecarbonitrile, Benzonitrile, 2,4,5-trifluoro-, 2,4,5-trifluoro-benzonitrile, SCHEMBL271239, SCHEMBL366972, SCHEMBL17110582, 2,4,5-Trifluorobenzonitrile, 99%, SBB055459, AKOS006221863, AC-4106, CS-W023161, PB47821, PS-10158, SY021880, DB-019812, NS00121041, ST50306865, T2326, EN300-181544

Application

2,4,5-Trifluorobenzonitrile serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly kinase inhibitors and antiviral agents. Its electron-withdrawing trifluoromethyl groups enhance reactivity in palladium-catalyzed cross-coupling reactions for agrochemical development. The compound is also employed in liquid crystal and polymer research to modify dielectric properties and thermal stability.

Safety and Hazards

GHS Hazard Statements

• H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (22.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (66.7%): 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]
• H330 (11.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H331 (11.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (33.3%)
• Acute Tox. 4 (66.7%)
• Acute Tox. 3 (22.2%)
• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 2 (11.1%)
• Acute Tox. 4 (66.7%)
• STOT SE 3 (66.7%)

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