Description

Methyl 3,3,3-trifluoropropanoate (CAS: 18830-44-9) is a high-purity fluorinated ester compound with the molecular formula C₄H₅F₃O₂. This specialized chemical is widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material research due to its trifluoromethyl group, which enhances reactivity and stability. The product is rigorously tested for quality, ensuring ≥98% purity by GC analysis, and is supplied in sealed, moisture-resistant packaging to maintain integrity. Ideal for nucleophilic substitution reactions and as a building block in organofluorine chemistry, it is a critical reagent for researchers and industrial scientists working on fluorinated intermediates. Available in quantities ranging from grams to kilograms, this compound is handled under strict safety protocols to ensure optimal performance in your applications.

Properties

• CAS Number: 18830-44-9
• Complexity: 107
• IUPAC Name: methyl 3,3,3-trifluoropropanoate
• InChI: InChI=1S/C4H5F3O2/c1-9-3(8)2-4(5,6)7/h2H2,1H3
• InChI Key: PMGBATZKLCISOD-UHFFFAOYSA-N
• Exact Mass: 142.02416388
• Molecular Formula: C4H5F3O2
• Molecular Weight: 142.08
• SMILES: COC(=O)CC(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 142.02416388
• Synonyms: 18830-44-9, Methyl 3,3,3-trifluoropropanoate, DTXSID70382062, DTXCID00333087, 689-101-4, Methyl 3,3,3-trifluoropropionate, Propanoic acid, 3,3,3-trifluoro-, methyl ester, MFCD02262206, methyl trifluoropropionate, 3,3,3-Trifluoropropionic Acid Methyl Ester, SCHEMBL2390553, SCHEMBL3123985, SCHEMBL9836561, Methyl3,3,3-trifluoropropanoate, QXVQZLKMZZUWTP-UHFFFAOYSA-N, BBL101876, SBB086220, STL555673, AKOS009159232, BS-16372, DB-001396, 3,3,3-trifluoro-propionic acid methyl ester, CS-0121472, M2783, EN300-169897, T71999

Methyl 3,3,3-trifluoropropanoate serves as a versatile fluorinated synthon in pharmaceutical and agrochemical research, enabling the introduction of the trifluoromethyl group into target molecules. It is commonly employed in the synthesis of bioactive compounds, including protease inhibitors and herbicides, due to its ability to enhance metabolic stability. Additionally, this ester is used in material science for modifying polymer properties and in specialty coatings. Its reactivity in nucleophilic acyl substitution makes it valuable for constructing complex fluorinated architectures.

Safety and Hazards

GHS Hazard Statements

• H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Flam. Liq. 2 (50%)
• Flam. Liq. 3 (50%)
• Skin Irrit. 2 (75%)
• Eye Irrit. 2A (75%)
• STOT SE 3 (50%)

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