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Trifluoressigsäure
TFA · CF3COOH · Trifluoracetic acid · 25ml · Trifluoroethanoic acid · WASH BUFFER · PERFLUOROACETIC ACID · trifluoroethanoicacid
Identifikatoren & physikalische Daten
| CAS No. | 76-05-1 |
|---|---|
| Summenformel | C2HF3O2 |
| Durchschnittliche Molmasse | 114,02 g/mol |
| Monoisotopische Masse | 113,99286376 g/mol |
| SMILES | O=C(O)C(F)(F)F |
| InChIKey | DTQVDTLACAAQTR-UHFFFAOYSA-N |
| PubChem CID | 6422 |
| ChEMBL | CHEMBL506259 |
| ChEBI | CHEBI:45892 |
| EC No. | 200-929-3 |
| Lokaler Name | Trifluoressigsäure |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 83 |
| LogP (Verteilungskoeffizient) | -2.1 |
| Geruch | Sharp biting odorStrong pungent odor |
| Dichte | 1.531 at 20 °CRelative density (water = 1): 1.51.535 @25 °C1.489 g/mL at 20 °C (lit.) |
| Color/Form | LiquidColorless, fuming liquidhygroscopic |
| Löslichkeit | Miscible with ether, acetone, ethanol, benzene, carbon tetrachloride, hexane.In water, miscible at 20 °C1000 mg/mL at 20 °CSolubility in water, g/100ml at 20 °C: 100 (very good)Miscible with ether, acetone, ethanol, benzene, hexane, and CCl<sub>4</sub> |
| Corrosivity | Corrosive |
| Siedepunkt | 72.4 °CEnthalpy of vaporization: 33 kJ/mol at boiling point72 °C71.1 °C @760 [mm Hg]72.4 °C (lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen fluorides/ |
| Schmelzpunkt | -15.4 °C-15 °C-15.25 °C-15.4 °C (lit.) |
| Dampfdichte | Relative vapor density (air = 1): 3.93.9 (vs air) |
| Dampfdruck | 110.0 [mmHg]Vapor pressure, kPa at 20 °C: 1197.5 mm Hg ( 20 °C) |
| Brechungsindex | Index of refraction: 1.2850 at 20 °C/Dn20/D 1.3(lit.) |
| Flammpunkt | None |
| Lagerbedingungen | Store at +15°C to +25°C. |
| pKa (Säurekonstante) | -0.3(at 25℃) |
| Aggregatzustand | Liquid |
| Wichte | 1.480 |
| Farbe | Colorless |
| pH | 1 (10g/l, H2O) |
| Geruch | Sharp, pungent odor |
| Merck | 14,9681 |
| BRN | 742035 |
| Henry-Konstante | 5.7×101 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Dielektrizitätskonstante | 23.7(20℃) |
| Stabilität | Stable. Incompatible with combustible material, strong bases, water, strong oxidizing agents. Non-combustible. Hygroscopic. May react violently with bases. |
| Hauptanwendungen | food and beverages |
| Kosmetik-Inhaltsstoffe Funktionen | pH ADJUSTERS |
| InChI | 1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) |
| InChIKey | DTQVDTLACAAQTR-UHFFFAOYSA-N |
| SMILES | OC(C(F)(F)F)=O |
| CAS Datenbank | 76-05-1(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, trifluoro-(76-05-1) |
| EPA chemische Informationen | Acetic acid, 2,2,2-trifluoro- (76-05-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H332: Harmful if inhaled [Warning Acute toxicity, inhalation]H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, trifluoro-Commission Regulation No 844/2012Acetic acid, 2,2,2-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2,2,2-trifluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5203Status: Active Update: 05-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18986Trifluoroacetic acid: HSNO Approval: HSR004741 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2024)· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.· Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.).· Corrosives in contact with metals may evolve flammable hydrogen gas.· Containers may explode when heated.· For electric vehicles or equipment, GUIDE 147 (lithium ion or sodium ion batteries) or GUIDE 138 (sodium batteries) should also be consulted.Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Brandpotenzial | Nonflammable |
| Gesundheitsgefahren | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death.· Contact with molten substance may cause severe burns to skin and eyes.· Avoid any skin contact.· Fire may produce irritating, corrosive and/or toxic gases.· Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. |
| Gefahrenübersicht | Corrosive to skin[Quick CPC] Corrosive to skin, eyes, and respiratory tractInhalation may cause pulmonary edema[ICSC] A metabolite of halothane (anesthetic) and trifluoroethanolUnlike trifluoroethanol, trifluoroacetic acid did not produce testicular toxicity in rats at similar doses[REPROTOX] Causes dyspnea in inhalation lethal-concentration studies of mice and ratsCauses other liver changes in 10-day oral studies of mice[RTECS] Harmful by inhalationCauses severe burnsMay cause liver damageInhalation of high concentration may cause chemical pneumonitis[Aldrich MSDS] See Fluoroacetic acid. |
| DOT-Nummer und Handbuch | 2699 154 |
| Reaktive Gruppe | Acids, CarboxylicHalogenated Organic CompoundsFluorinated Organic Compounds |
| EG-Einstufung | Symbol: CR: 20-35-52/53S: (1/2)-9-26-27-28-45-61 |
| UN-Einstufung | UN Hazard Class: 8UN Pack Group: I |
| Reactivity Profile | TRIFLUOROACETIC ACID is a strong acidattacks many metals [Handling Chemicals Safely 1980. p. 935]. A 30% solution of hydrogen peroxide in trifluoroacetic acid is often used to destructively oxidize aromatic rings in preference to the side chains. Explosions have occurred, if the excess peroxide is not catalytically destroyed, prior to removal of solvent, [Tetrahedron Lett., 1977, 1703-1704]. The reduction of amides of trifluoroacetic acid with lithium aluminum hydride are dangerous at all phases of the process, explosions have occurred, [Chem. Eng. News, 1955, 33, 1368]. |
| Chemical Dangers | Decomposes on contact with hot surfaces or flames. This produces toxic fumes. The substance is a medium strong acid. Reacts violently with strong bases, reducing agents and oxidants. This produces toxic and corrosive fumes including hydrogen fluoride. Attacks many metals. This produces flammable/explosive gas (hydrogen - see ICSC 0001). Attacks some forms of rubber. |
| Brandbekämpfung | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:SMALL FIRE: Dry chemical, CO2 or water spray.LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)In case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep drums, etc., cool by spraying with water. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Half-upright position. Refer immediately for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention. |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· Keep unauthorized personnel away.· Stay upwind, uphill and/or upstream.· Ventilate closed spaces before entering, but only if properly trained and equipped.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.· Stop leak if you can do it without risk.· Prevent entry into waterways, sewers, basements or confined areas.· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.· DO NOT GET WATER INSIDE CONTAINERS. |
| Erste Hilfe | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. (ERG, 2024)General First Aid:· Call 911 or emergency medical service.· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.· Move victim to fresh air if it can be done safely.· Administer oxygen if breathing is difficult.· If victim is not breathing:-- DO NOT perform mouth-to-mouth resuscitationthe victim may have ingested or inhaled the substance.-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.· Remove and isolate contaminated clothing and shoes.· For minor skin contact, avoid spreading material on unaffected skin.· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.· For severe burns, immediate medical attention is required.· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.· Keep victim calm and warm.· Keep victim under observation.· For further assistance, contact your local Poison Control Center.· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.Specific First Aid:· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. |
| Sichere Lagerung | Separated from strong bases, metals, oxidants and food and feedstuffs. Keep in a well-ventilated room. Store in an area without drain or sewer access. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA).· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. |
| Freisetung ohne Brand | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024) |
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| Verschüttetes entsorgen | Personal protection: gas-tight chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable plastic containers. Absorb remaining liquid in sand or inert absorbent. Carefully collect remainder. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)Immediate precautionary measure· Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. |
| Eye Prevention | Wear face shield or eye protection in combination with breathing protection. |
| Fire Prevention | NO contact with bases, oxidizing agents or reducing agents. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 3(SRC), determined from a structure estimation method(2), indicates that trifluoroacetic acid is expected to have very high mobility in soil(SRC). The pKa of trifluoroacetic acid is 0.52(3), indicating that this compound will primarily exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of trifluoroacetic acid from moist soil surfaces is not expected to be an important fate process as anions do not volatilize(SRC). Trifluoroacetic acid is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 110 mm Hg(5). Certain oxic conditions do suggest that biodegradation is possible in soilhowever, one of the products of degradation is fluoroform, a potential ozone-depleting compound with much longer atmospheric persistence than the parent compound(6).TERRESTRIAL FATE: In a throughput study at the Hubbard Brook Experimental Forest in New Hampshire, the fate of trifluoroacetic acid within northern hardwood forest soils is suggested as follows: loss via soil water flow, 40-80%soil retention, 5-30%and plant uptake, 50-35%. These results indicate that transport of this compound is controlled primarily by hydrologic processes in upland forest ecosystems(1).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3(SRC), determined from a structure estimation method(2), indicates that trifluoroacetic acid is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 0.52(3) indicates trifluoroacetic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 0.50(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Trifluoroacetic acid was not biodegraded during a year-long study using laboratory aquatic microcosms and ecosystem sediment-water systems(8). Certain oxic conditions do suggest that biodegradation is possible in soiltrifluoroacetic acid degraded 9, 2.4, 1.9 and 25.5%, respectively, O2 as electron acceptor(9).AQUATIC FATE: Trifluoroacetic acid is extremely persistent in water, showing no degradation during a year-long study using field aquatic microcosms and ecosystem sediment-water systems(1). Observations of the field ponds showed a reduction of trifluoroacetic acid over the winter months with levels rising again toward spring. Reaction with hydroxyl radicals in water is slow, with an estimated half-life of over 100 years(1). Trifluoroacetic acid was added to aquatic microcosms at concentrations of 10, 100, 300 and 1000 ug/La concentration of 20 ug/mL was added to laboratory sediment microcosms(1).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), trifluoroacetic acid, which has an estimated vapor pressure of 110 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase trifluoroacetic acid is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 31 days(SRC), calculated from its rate constant of 5.2X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Trifluoroacetic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4). |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Expositionspfade | Serious local effects by all routes of exposure. |
| Signs and Symptoms | Cough. Sore throat. Burning sensation. Laboured breathing.Redness. Pain. Serious skin burns.Redness. Pain. Severe deep burns.Burning sensation in the throat and chest. Abdominal pain. Shock or collapse. |
| Effluent Concentrations | Data suggest that the total trifluoroacetic acid in air and precipitation exceeds the formation potential of currently known sources. Trifluoroacetic acid in atmosphere and rain is regionally associated with industrial or population density and that other unresolved sources must contribute to the present concentrations(1). |
| ICSC Environmental Data | The substance is harmful to aquatic organisms. |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of trifluoroacetic acid can be estimated to be 3(SRC). According to a classification scheme(2), this estimated Koc value suggests that trifluoroacetic acid is expected to have very high mobility in soil. The pKa of trifluoroacetic acid is 0.52(3), indicating that this compound will primarily exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). In a throughput study at the Hubbard Brook Experimental Forest in New Hampshire, calculated outflows of trifluoroacetic acid from the organic layers were 57% of the total added concentration of 0.81 g/sq m(5). Thirty-five soils ranging from acrtic (Toolik Lake) and boreal (Bonanza Creek) sites in Alaska to a tropical rain forest in Puerto Rico (Luquillo) as well as soils from Lake Agissaz Peatlands, MN, near Found Lake, WI, Lysina and Pluhuv Bor, Czech Republic, Manaus, Balem, a Brazilian carton in Brazil, and the Hubbard Brook Experimental Forest, NH, were utilized to ascertain the fate of trifluoroacetic acid(6). Retention ranged from 25 to 260 umol/kg (60-0% of added trifluoroacetic acid) with 43 of 54 soils not retaining this compound stronglysoils with high organic matter and some mineral soils with high iron and aluminum content exhibited strong retention (20-60% of added trifluoroacetic acid)generally though, mineral soils exhibited less retention (0-15% of added trifluoroacetic acid)(6). The retention of trifluoroacetic acid increased with decreasing pH(6).Trifluoroacetic acid adsorption parameters(1). [Table#7184] |
| Atmospheric Concentrations | URBAN/SUBURBAN: Average trifluoroacetic acid concentration in air samples collected from Bayreuth, Germany from March 1995 to September 1996 was 44 pg/cu m with a range of 10 to 126 pg/cu m(1). |
| Human Toxicity Excerpts | /ALTERNATIVE and IN VITRO TESTS/ To elucidate the possible role of biotransformation in 1,1,1,3,3-pentafluoropropane (HFC-245fa)-induced cardiotoxicity, the biotransformation of HFC-245fa was investigated in rats after inhalation exposure and in rat and human liver microsomes. ... In rat and human liver microsomes, HFC-245fa was biotransformed by a cytochrome P450-dependent reaction to trifluoroacetic acid and 3,3,3-trifluoropropanoic acid. ... In human liver microsomes, rates of trifluoroacetic acid formation ranged from 0 to 11.6 pmol/mg of protein/min. |
| Artificial Pollution Sources | Trifluoroacetic acid's production and use in organic synthesis(1) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | AEROBIC: Trifluoroacetic acid was not biodegraded during a year-long study using laboratory aquatic microcosms and ecosystem sediment-water systems(1). Trifluoroacetic acid was not biodegraded by soil microorganisms, specifically Nocardia 398 and Pseudomonas 409, following 20 days incubation at a compound concentration of 0.1% in a 1 liter basal salts medium(2). Certain oxic conditions do suggest that biodegradation is possible in soiltrifluoroacetic acid at concns (incubation time, days) of 0.925 (27), 0.463 (27), 0.463 (15), and 0.185 (15) degraded 9, 2.4, 1.9 and 25.5%, respectively, with O2 as electron acceptor(3). One of the products of degradation is fluoroform, a potential ozone-depleting compound with much longer atmospheric persistence than the parent compound(3).ANAEROBIC: Trifluoroacetic acid, concentration load ranging from 15 to 65 mg/L as fluoride, was found to be cometabolically degradable at low loading conditions using an engineered anaerobic reactor, set at a flow-rate of 9.5 L/day and a hydraulic retention time of 20 days pH of 7.2 and maintained at 35 °C, and following 90 weeks incubation(1). Using sediments from a San Francisco Bay salt marsh and a freshwater lake, 2-C14-labelled trifluoroacetic acid at starting concentrations in uM (incubation time, days) of 0.925 (27), 0.463 (27), 0.463 (15) and 0.185 (15), resulted in 0% conversion after 15 days with NO3 electron acceptorstarting concentrations in uM of 1.850 (12), 0.925 (18) and 0.463 (18) degraded 0, 0.1 and 12.2%, respectively, with SO4 as electron acceptor(2). Under anoxic conditions, one of the observed intermediates was monofluoroacetate, sold commercially as the poison "1080", which is highly toxic to microorganisms and mammals(3). |
| Environmental Bioconcentration | An estimated BCF of 3 was calculated in fish for trifluoroacetic acid(SRC), using an estimated log Kow of 0.50(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2699 |
| Zollcode | 29159080 |
| RTECS-Nr. | AJ9625000 |
| R-Sätze (R) | 20-35-52/53-34 |
| Toxizität | LD50 i.v. in mice: 1200 mg/kg (Airaksinen, Tammisto) |
| Gefahrensymbole | C,T,Xi |
| hazard_note | Toxic/Corrosive |
| Sicherheitshinweise (S) | 9-26-27-28-45-61-28A-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 InhalationAquatic Chronic 3Eye Dam. 1Skin Corr. 1A |
| Verpackungsgruppe | I |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrstoffdaten | 76-05-1(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Trifluoroacetic acid is an important building block in the synthesis of pharmaceuticals, agrochemicals and performance products. It is a precursor to many fluorinated compounds, and widely used in peptide synthesis and other organic transformations involving deprotection of t-BOC group. The combination of properties like solubility in most of the solvents, volatility, catalytic property, and strong acidity with non-oxidizing nature makes it a widely used reagent in organic synthesis. Trifluoroacetic acid can use as an ion pairing agent in liquid chromatography, as a solvent in NMR spectroscopy and as a calibrant in mass spectrometry. It is used as a catalyst in esterification reaction and condensation reaction and a protective agent for hydroxyl and amino.