Description

Trifluoroacetic acid (TFA) is a highly versatile and reactive organofluorine compound with the molecular formula C₂HF₃O₂ and CAS number 76-05-1. This colorless, fuming liquid is characterized by its strong acidity (pKa ~0.23) and excellent solvating properties, making it invaluable in organic synthesis, peptide chemistry, and analytical applications. TFA exhibits exceptional purity (>99%) with low water content, ensuring optimal performance as a solvent, catalyst, or reagent. Its high volatility (bp 72°C) and miscibility with water and most organic solvents enhance its utility in HPLC mobile phases and protein purification workflows. Suitable for use under inert atmospheres, our TFA is packaged in amber glass bottles with secure closures to prevent moisture absorption and degradation.

Properties

• CAS Number: 76-05-1
• Complexity: 83.4
• IUPAC Name: 2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
• InChI Key: DTQVDTLACAAQTR-UHFFFAOYSA-N
• LogP: -2.1
• Exact Mass: 113.99286376
• Molecular Formula: C2HF3O2
• Molecular Weight: 114.02
• SMILES: C(=O)(C(F)(F)F)O
• Topological: 37.3
• Monoisotopic Mass: 113.99286376
• Physical Description: Trifluoroacetic acid appears as a colorless fuming liquid with a pungent odor. Soluble in water and denser than water. Corrosive to skin, eyes and mucous membranes. Used to make other chemicals and as a solvent.
• Color/Form: Liquid
• Odor: Sharp biting odor
• Boiling Point: 72.4 °C
• Melting Point: -15.4 °C
• Solubility: Miscible with ether, acetone, ethanol, benzene, carbon tetrachloride, hexane.
• Density: 1.531 at 20 °C
• Vapor Density: Relative vapor density : 3.9
• Vapor Pressure: 110.0 [mmHg]
• Henry’s Law Constant: Henry’s Law constant = 1.11X10-7 atm-cu m/mol at 25 °C
• Refractive Index: Index of refraction: 1.2850 at 20 °C/D
• Dissociation Constants: pKa = 0.3
• Synonyms: Trifluoroacetic acid, 76-05-1, Perfluoroacetic acid, Trifluoroethanoic acid, Trifluoracetic acid, 2,2,2-trifluoroacetic acid, Acetic acid, trifluoro-, TFA, Kyselina trifluoroctova, CF3COOH, NSC 77366, Trifluoressigsaeure, EINECS 200-929-3, UNII-E5R8Z4G708, BRN 0742035, acide trifluoroacetique, DTXSID9041578, CHEBI:45892, AI3-28549, HSDB 7508, E5R8Z4G708, NSC-77366, Acid, Trifluoroacetic, EC 200-929-3, 4-02-00-00458 (Beilstein Handbook Reference), TRIFLUOROACETIC ACID (II), TRIFLUOROACETIC ACID [II], TRIFLUOROETHANONIC ACID, DTXCID7021578, 200-929-3, trifluoroaceticacid, trifluoro-acetic acid, trifluoro acetic acid, MFCD00004169, Acetic acid, 2,2,2-trifluoro-, trifluroacetic acid, triflouroacetic acid, triflouro acetic acid, Acetic acid-d, trifluoro-, 2,2,2-trifluoro-acetic acid, trifluoracetate, Trifluoroacetic acid, biochemical grade, Trifluoroacetic acidTFA, Trifluoroacetic acid, ReagentPlus(R), 99%, Kyselina trifluoroctova [Czech], UN2699, IPC-PFFA-2, trifluoraceticacid, trifluoroacetyloxy, trifluroaceticacid, flurtamone TP1, Trifluoressigsaure, trifloroacetic acid, trifluoroactic acid, trifiuoroacetic acid, trifluoro aceticacid, trifluoroacetic aicd, trifluoroacetic-acid, trifluoroacteic acid, tri-fluoroacetic acid, tri-fluoro acetic acid, trifluoro- acetic acid, Bruker standard solvent, F3CCOOH, WLN: QVXFFF, perfluoro-n-ethanoic acid, CF3CO2H, F3CCO2H, SCHEMBL474, CF3C(O)OH, SCHEMBL1007, 2,2,2-trifluoracetic acid, 76-05-1(water), NCIOpen2_000728, 1,1,1 trifluoroacetic acid, 2,2,2-triflouroacetic acid, perfluoroethane carboxylic acid, 2,2,2,-trifluoroacetic acid, CHEMBL506259, TRIFLUOROACETIC ACID [MI], Trifluoroacetic acid, HPLC Grade, 1w70, JWCIBKMUJOQYBU-UHFFFAOYSA-N, QJDBNAANWGIRNU-UHFFFAOYSA-O, SNOFKGQEUYMNCE-UHFFFAOYSA-N, TRIFLUOROACETIC ACID [HSDB], CS-B0890, NSC77366, STL264183, Trifluoroacetic acid (Peptide Grade), Trifluoroacetic acid, commercial grade, AKOS000118999, Trifluoroacetic acid (ACD/Name 4.0), Trifluoroacetic acid, p.a., 99.8%, SB13471, UN 2699, Trifluoroacetic acid, analytical standard, BP-20560, DS-003453, A5711, NS00008877, Q0053, T0431, Trifluoroacetic acid, for HPLC, >=99.0%, Trifluoroacetic acid, peptide synthesis grade, Trifluoroacetic acid, Ultrapure for synthesis, EN300-19296, Trifluoroacetic acid [UN2699] [Corrosive], Trifluoroacetic acid, LC-MS grade (Ampoules), Q412033, Trifluoroacetic acid, SAJ special grade, >=99.0%, Trifluoroacetic acid, Vetec(TM) reagent grade, 99%, Trifluoroacetic acid, >=99.995% Trace metals grade, Trifluoroacetic acid, UV HPLC spectroscopic, 99.8%, F2190-0649, Trifluoroacetic acid, anhydrous, ZerO2(TM), >=99.0%, InChI=1/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7, Trifluoroacetic acid, puriss. p.a., for HPLC, >=99.0% (GC), Trifluoroacetic acid, for protein sequence analysis, >=99.5% (T), Bruker standard solvent, for MALDI MS, 50% ACN + 47.5% H2O + 2.5% TFA, Trifluoroacetic acid, >=99%, purified by redistillation, for protein sequencing

Application

Trifluoroacetic acid is widely employed as a solvent and reagent in peptide synthesis, particularly for deprotection and cleavage in solid-phase peptide synthesis (SPPS). It serves as a powerful acid catalyst in organic transformations such as esterifications, oxidations, and rearrangements. TFA is also utilized as a mobile phase modifier in reverse-phase HPLC for improved peak resolution of polar compounds.

Safety and Hazards

GHS Hazard Statements

• H290: May be corrosive to metals [Warning Corrosive to Metals]
• H301: Toxic if swallowed [Danger Acute toxicity, oral]
• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H331: Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (23.5%)
• Acute Tox. 4 (23.1%)
• Skin Corr. 1A (100%)
• Eye Dam. 1 (48.3%)
• Acute Tox. 4 (100%)
• Aquatic Chronic 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.