2,2,2-trifluoroacetic acid

C2HF3O2

CAS76-05-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
Danger

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Identification

CAS Number
76-05-1
EC Number
200-929-3
UN Number
2699
Index Number
607-091-00-1
PubChem CID
6422

Physical-chemical properties

Molecular Formula
C2HF3O2
Molar Mass
114.02 g/mol
IUPAC Name
2,2,2-trifluoroacetic acid

Chemical Identifiers

InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChI Key
DTQVDTLACAAQTR-UHFFFAOYSA-N

Overview

2,2,2-trifluoroacetic acid (CAS 76-05-1) is a strong halogenated carboxylic acid with exceptional acidity and high chemical reactivity properties. This highly fluorinated organic compound represents one of the strongest carboxylic acids available commercially, with a pKa significantly lower than conventional organic acids due to the electron-withdrawing effect of its three fluorine atoms. The molecular formula C2HF3O2 reflects its simple yet distinctive structure, where the trifluoromethyl group dramatically enhances the acid's strength and reactivity compared to acetic acid. With a molecular weight of 114.02 g/mol, trifluoroacetic acid appears as a colorless, hygroscopic liquid that readily absorbs moisture from air. The compound's classification under Acute Tox. 4 and Skin Corr. 1A hazard classes, along with GHS07 and GHS05 pictograms, indicates significant safety considerations requiring careful handling protocols. Its corrosive nature demands appropriate personal protective equipment and containment measures, while its ADR Class 8 classification reflects its corrosive transport requirements. Unlike less reactive compounds such as 2-(diethylamino)ethanol, trifluoroacetic acid requires specialized storage and handling due to its aggressive chemical properties. Primary industrial applications include its use as a strong acid catalyst in organic synthesis, as a solvent and reagent in pharmaceutical manufacturing, and as a key component in peptide synthesis and protein chemistry. The compound also finds application in analytical chemistry, particularly in HPLC mobile phases and mass spectrometry sample preparation, where its volatility and ion-pairing properties prove advantageous. OYSI provides high-quality 2,2,2-trifluoroacetic acid to support diverse industrial and research applications across European markets.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Skin Corr. 1A; Aquatic Chronic 3

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H314

Causes severe skin burns and eye damage.

H412

Harmful to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Harmful

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number2699
ADR Class8
Packing GroupI
Tunnel CodeE
Proper Shipping NameTrifluoressigsäure
Marine PollutantNo

Frequently Asked Questions

What is 2,2,2-trifluoroacetic acid?

2,2,2-trifluoroacetic acid is a strong organic acid with the molecular formula C2HF3O2 and CAS number 76-05-1. This fluorinated carboxylic acid has a molecular weight of 114.02 g/mol and is characterized by three fluorine atoms attached to the methyl carbon. It is classified as a highly corrosive substance that poses acute toxicity risks and requires careful handling due to its aggressive chemical nature.

What are the physicochemical properties of 2,2,2-trifluoroacetic acid?

2,2,2-trifluoroacetic acid is a colorless, hygroscopic liquid at room temperature with a pungent, acetic acid-like odor. It has a boiling point of 72.4°C and is completely miscible with water, forming highly acidic solutions. The compound is also soluble in most organic solvents including alcohols, ethers, and aromatic hydrocarbons, making it versatile for various chemical applications.

What is 2,2,2-trifluoroacetic acid used for?

2,2,2-trifluoroacetic acid serves as a crucial reagent in organic synthesis, particularly in peptide chemistry for protein deprotection and cleavage reactions. It is extensively used in pharmaceutical manufacturing, analytical chemistry as a mobile phase modifier in HPLC, and in the production of trifluoroacetate salts. The compound also finds applications in polymer chemistry and as a catalyst in various organic transformations.

How to handle 2,2,2-trifluoroacetic acid safely?

2,2,2-trifluoroacetic acid must be handled with extreme caution due to its corrosive nature (Skin Corr. 1A classification). Always wear appropriate PPE including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Use corrosion-resistant equipment and ensure emergency eyewash stations and safety showers are readily accessible during handling operations.

How to store 2,2,2-trifluoroacetic acid correctly?

2,2,2-trifluoroacetic acid should be stored in tightly sealed, corrosion-resistant containers made of materials like PTFE or high-density polyethylene. Keep containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials such as bases, metals, and oxidizing agents. Store separately from alkaline substances and ensure secondary containment to prevent environmental release in case of container failure.

What to do in case of contact with 2,2,2-trifluoroacetic acid?

Immediate action is critical due to the substance's corrosive properties. For skin contact, immediately flush with copious amounts of water for at least 15 minutes while removing contaminated clothing. In case of eye contact, rinse immediately with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical care.

How to dispose of 2,2,2-trifluoroacetic acid appropriately?

2,2,2-trifluoroacetic acid must be disposed of as hazardous waste through licensed waste management companies in accordance with local and EU regulations. Never pour down drains or into the environment due to its aquatic toxicity classification (Aquatic Chronic 3). Small quantities may be neutralized carefully with appropriate bases under controlled conditions by trained personnel, but disposal through specialized waste handlers is recommended for safety and compliance.

How to transport 2,2,2-trifluoroacetic acid?

2,2,2-trifluoroacetic acid is classified as ADR Class 8 (Corrosive substances), Packing Group I, indicating high danger level. Transportation requires UN-specification packaging designed for corrosive liquids, proper labeling with GHS05 and GHS07 pictograms, and appropriate shipping documentation. Vehicles must carry emergency equipment for corrosive spills, and drivers require ADR training certification for handling dangerous goods during transport.

Is 2,2,2-trifluoroacetic acid subject to specific regulations?

2,2,2-trifluoroacetic acid is regulated under EU REACH and CLP regulations, requiring registration for commercial use and proper hazard classification labeling. It is not currently listed as a Substance of Very High Concern (SVHC). Companies must comply with safety data sheet requirements, worker protection standards, and environmental discharge limits. Some applications may require specific permits or notifications depending on quantities used and local regulations.

Where to buy 2,2,2-trifluoroacetic acid in Europe?

2,2,2-trifluoroacetic acid is available through OYSI, a trusted European distributor of specialty chemicals. OYSI provides high-quality products with comprehensive documentation including safety data sheets and certificates of analysis. As an established chemical distributor, OYSI ensures regulatory compliance and reliable supply chains across Europe, offering professional support for technical applications and safety guidance for proper handling and storage requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.