Description

Allyl trifluoroacetate (CAS No. 383-67-5) is a high-purity fluorinated organic compound with the molecular formula C₅H₅F₃O₂ and IUPAC name prop-2-enyl 2,2,2-trifluoroacetate. This colorless to pale yellow liquid is characterized by its reactive allyl ester group and trifluoroacetyl functionality, making it a versatile intermediate in organic synthesis and specialty chemical manufacturing. With a molecular weight of 154.09 g/mol, it offers excellent solubility in common organic solvents while exhibiting moderate volatility. Our product is rigorously quality-controlled to ensure consistency for demanding applications, including pharmaceutical synthesis, agrochemical production, and advanced material development. Suitable for use under inert atmospheres, this compound should be stored in a cool, dry environment away from strong oxidizers.

Properties

• CAS Number: 383-67-5
• Complexity: 138
• IUPAC Name: allyl 2,2,2-trifluoroacetate
• InChI: InChI=1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
• InChI Key: XIVPVSIDXBTZLM-UHFFFAOYSA-N
• Exact Mass: 154.02416388
• Molecular Formula: C5H5F3O2
• Molecular Weight: 154.09
• SMILES: C=CCOC(=O)C(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 154.02416388
• Synonyms: Allyl trifluoroacetate, 383-67-5, Allyl trifluoracetate, 93U29ZRD8S, EINECS 206-853-7, NSC-20943, Acetic acid, trifluoro-, 2-propenyl ester, Allyl alcohol, trifluoroacetate, DTXSID70191671, Acetic acid, trifluoro-, allyl ester, NSC 20943, ALLYL-2,2,2-TRIFLUOROACETATE, Trifluoroacetic acid, 2-propenyl ester, 2-PROPENYL 2,2,2-TRIFLUOROACETATE, ACETIC ACID, 2,2,2-TRIFLUORO-, 2-PROPEN-1-YL ESTER, DTXCID10114162, 206-853-7, xivpvsidxbtzlm-uhfffaoysa-n, Allyltrifluoroacetate, prop-2-enyl 2,2,2-trifluoroacetate, Trifluoroacetic Acid Allyl Ester, prop-2-en-1-yl 2,2,2-trifluoroacetate, MFCD00013567, 2-propenyl trifluoroacetate, Allyltrifluoroacetate, 98%, UNII-93U29ZRD8S, Allyl trifluoroacetate, 97%, Allyl 2,2,2-trifluoroacetate, SCHEMBL1082749, SCHEMBL11863697, Allyl Trifluoroacetate, >/=95%, NSC20943, SBB006598, AKOS005207182, BS-43809, DB-022438, NS00030375, T1765, D92523

Application

Allyl trifluoroacetate serves as a key building block in pharmaceutical synthesis, particularly for introducing trifluoroacetyl protecting groups. Researchers utilize this compound in nucleoside chemistry and peptide modifications where its allyl group enables subsequent deprotection under mild conditions. The reagent finds application in polymer chemistry for creating fluorinated monomers that impart unique surface properties to materials.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Skin Corr. 1B (100%)
• STOT SE 3 (89.1%)

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