Description

Methyl trifluoromethyl ketone (CAS No. 421-50-1) is a highly versatile fluorinated organic compound with the molecular formula C₃H₃F₃O. Also known by its IUPAC name 1,1,1-trifluoropropan-2-one, this clear, volatile liquid exhibits excellent reactivity due to the presence of the electron-withdrawing trifluoromethyl group. Its high purity (>98%) makes it ideal for synthetic chemistry applications, particularly as a building block for pharmaceuticals, agrochemicals, and specialty materials. The compound’s stability and unique electronic properties enable its use in nucleophilic additions, Grignard reactions, and as a precursor for fluorinated heterocycles. Packaged in amber glass bottles under inert gas to ensure longevity, this product is a must-have for researchers working in fluorination chemistry and advanced material science.

Properties

• CAS Number: 421-50-1
• Complexity: 82.7
• IUPAC Name: 1,1,1-trifluoropropan-2-one
• InChI: InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
• InChI Key: FHUDAMLDXFJHJE-UHFFFAOYSA-N
• Exact Mass: 112.01359920
• Molecular Formula: C3H3F3O
• Molecular Weight: 112.05
• SMILES: CC(=O)C(F)(F)F
• Topological: 17.1
• Monoisotopic Mass: 112.01359920
• Physical Description: Clear colorless liquid; bp = 22 deg C;
• Vapor Pressure: 728.0 [mmHg]
• Synonyms: 1,1,1-TRIFLUOROACETONE, 421-50-1, Methyl trifluoromethyl ketone, 1,1,1-Trifluoro-2-propanone, 2-Propanone, 1,1,1-trifluoro-, Trifluoromethyl methyl ketone, 3,3,3-Trifluoroacetone, K987U5C2CX, EINECS 207-005-9, NSC 66412, NSC-66412, 1,1,1Trifluoroacetone, 3,3,3Trifluoroacetone, 1,1,1Trifluoro2propanone, 207-005-9, inchi=1/c3h3f3o/c1-2(7)3(4,5)6/h1h, Trifluoroacetone, 1,1,1-trifluoropropan-2-one, 1,1,1-tris(fluoranyl)propan-2-one, MFCD00000423, 1,1,1,-trifluoroacetone, trifluoracetone, Trifluoroketone, 1,1-Trifluoroacetone, 3,3-Trifluoroacetone, CF3COCH3, CH3COCF3, 1,1-Trifluoro-2-propanone, UNII-K987U5C2CX, SCHEMBL16821, 2-Propanone,1,1-trifluoro-, SCHEMBL137626, SCHEMBL2219029, DTXSID9059963, 1,1,1,tri-fluoro-2-propanone, 1,1,1-trifluoro-propan-2-one, 2-propanone, 1,1,1-trifluoro, 1,1,1-Trifluoroacetone, 97%, BDBM198123, NSC66412, STL146437, AKOS000118834, FS-5809, I+/-, I+/-, I+/- -Trifluoroacetone, NS00042813, T2921, F10887, A825791, Q18611652, F0001-1176, 1,1,1-Trifluoroacetone (in cylinder without valve) [To use this product charged in cylinder, a valve is required which is sold separately (Product Code:V0030)]

Application

Methyl trifluoromethyl ketone is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its strong electrophilic character makes it valuable for constructing trifluoromethylated scaffolds in drug discovery. Researchers also employ it as a precursor for fluorinated polymers and specialty coatings with enhanced chemical resistance. Additionally, it serves as a reagent in organofluorine chemistry to study reaction mechanisms involving CF₃-containing compounds.

Safety and Hazards

GHS Hazard Statements

• H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]
• H314 (70%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (68.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (30.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (29.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (69.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 1 (100%)
• Skin Corr. 1B (70%)
• Skin Irrit. 2 (30%)
• Eye Dam. 1 (68.8%)
• Eye Irrit. 2 (30.6%)
• STOT SE 3 (29.4%)
• Aquatic Chronic 3 (69.4%)

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