Description

2-Fluoro-5-(trifluoromethyl)pyrimidine (CAS No. 1214344-68-9) is a high-purity fluorinated pyrimidine derivative with the molecular formula C₅H₂F₄N₂. This compound is a versatile building block in pharmaceutical and agrochemical research, offering unique reactivity due to the presence of both fluorine and trifluoromethyl groups on the pyrimidine ring. Its IUPAC name is 2-fluoro-5-(trifluoromethyl)pyrimidine, and it is supplied as a clear to pale-yellow liquid with ≥95% purity (GC). Suitable for nucleophilic substitution reactions, cross-coupling, and other synthetic transformations, this reagent is ideal for medicinal chemistry, material science, and specialty chemical synthesis. Packaged under inert gas to ensure stability, it is available in quantities from 1g to 1kg with custom bulk options.

Properties

• CAS Number: 1214344-68-9
• Complexity: 127
• IUPAC Name: 2-fluoro-5-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C5H2F4N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H
• InChI Key: QEWJTWUFYSMONN-UHFFFAOYSA-N
• Exact Mass: 166.01541072
• Molecular Formula: C5H2F4N2
• Molecular Weight: 166.08
• SMILES: C1=C(C=NC(=N1)F)C(F)(F)F
• Topological: 25.8
• Monoisotopic Mass: 166.01541072
• Synonyms: 2-fluoro-5-(trifluoromethyl)pyrimidine, 1214344-68-9, DTXSID90602138, DTXCID80552895, 807-670-0, MFCD13185662, SCHEMBL5675097, SCHEMBL11287557, BBL102705, STL556511, AKOS017344325, SB55769, MS-20486, DB-228061, CS-0442529, EN300-7291990

Application

2-Fluoro-5-(trifluoromethyl)pyrimidine is widely used as a key intermediate in the synthesis of bioactive molecules, particularly in the development of pharmaceuticals and agrochemicals. Its electron-deficient pyrimidine core and fluorine substituents make it valuable for designing kinase inhibitors and antiviral agents. Researchers also employ it in the preparation of fluorinated liquid crystals and advanced materials. The trifluoromethyl group enhances lipophilicity, improving drug-like properties in candidate compounds.

Safety and Hazards

GHS Hazard Statements

• H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (33.3%)
• Acute Tox. 4 (33.3%)
• STOT SE 3 (100%)

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