CAS 76-05-1: Trifluoroacetic Acid (C2HF3O2)
Identity
| CAS Number | 76-05-1 |
| Molecular Formula | C2HF3O2 |
| IUPAC Name | 2,2,2-trifluoroacetic acid |
| Molecular Weight | 114.02 g/mol |
| SMILES | C(=O)(C(F)(F)F)O |
| Synonyms | TFA, trifluoroacetic acid, perfluoroacetic acid, 2,2,2-trifluoroethanoic acid |
2D Structure
Physical Properties
| Density | 1.489 g/mL at 25°C |
| Boiling Point | 72.4°C |
| Melting Point | -15.4°C |
| Flash Point | None°C |
| Vapor Pressure | 12.0 kPa at 20°C |
| Refractive Index | nD = 1.3 |
| Dielectric Constant | ε = 8.4 |
Safety & GHS Classification
GHS05Irritant
- H302: Harmful if swallowed
- H314: Causes severe skin burns and eye damage
- H332: Harmful if inhaled
- H335: May cause respiratory irritation
- H412: Harmful to aquatic life with long lasting effects
Storage: Store in PTFE or glass containers with PTFE-lined caps. Highly corrosive — use corrosion-resistant storage cabinet. Keep away from bases and reducing agents. Use in fume hood with full acid-resistant PPE including face shield.
Material Compatibility Matrix
Plastics
| Material | Rating |
|---|---|
| PTFE | Excellent |
| PVC | Good |
| PE | Good |
| PP | Excellent |
| PEEK | Excellent |
| PVDF | Excellent |
Rubbers
| Material | Rating |
|---|---|
| Viton | Good |
| NBR | Poor |
| EPDM | Fair |
| Silicone | Fair |
| FKM | Good |
Metals
| Material | Rating |
|---|---|
| Stainless 316 | Excellent |
| Aluminum | Good |
| Copper | Fair |
| Brass | Fair |
Applications
- HPLC mobile phase additive (ion-pairing reagent)
- Peptide synthesis (Boc deprotection)
- Protein NMR and mass spectrometry solvent
- Chemical intermediate for fluorinated compounds
- Pesticide intermediate
- Polymer synthesis catalyst
- Biotechnology reagent (DNA sequencing)
External References: PubChem