Trifluoroacetic acid
Properties
- Molecular formula
- C2HF3O2
- Molar mass
- 114.02 g/mol
- Exact mass
- 113.9929 Da
- Density
- 1.489 g/mL (at 20 °C)
- Melting point
- −15.2 °C
- Boiling point
- 73 °C
- pKa
- 0.3
- Water solubility
- miscible (20 °C)
- logP
- 0.63Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
- H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 607-091-00-1), via PubChem.
Precautionary statements
P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501
Identifiers
CAS number
76-05-1SMILES
O=C(O)C(F)(F)FInChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-NInChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Acetic acid, 2,2,2-trifluoro-
- Acetic acid, trifluoro-
- 2,2,2-Trifluoroacetic acid
- Perfluoroacetic acid
- Trifluoroethanoic acid
- TFA
- NSC 77366
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 76-05-1. Each row opens the sheet with its composition and PDF.
Work with Trifluoroacetic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Trifluoroacetic acid-d599-00-8Labelled
Sodium trifluoroacetate2923-18-4Salt
Silver trifluoroacetate2966-50-9Salt
Mercuric trifluoroacetate13257-51-7Salt
Lithium trifluoroacetate2923-17-3Salt
N-Methylanilinium trifluoroacetate29885-95-8Salt
Pyridinium trifluoroacetate464-05-1Salt
Thallium(III) trifluoroacetate23586-53-0Salt
Potassium trifluoroacetate2923-16-2Salt
Copper(II) trifluoroacetate hydrate123333-88-0Salt
LL-37 (human) trifluoroacetate salt597562-32-8Salt
1-(4-Fluoro-benzyl)-piperazine trifluoroacetate435345-45-2Salt
Similar compounds
Rhodium (II) Trifluoroacetate dimer31126-95-183 % similar
2,2,3,3-Tetrafluorobutanedioic acid377-38-858 % similar
1-Fluoro-cyclopropanecarboxylic acid137081-41-550 % similar
2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-350 % similar
2-Bromo-2,2-difluoroacetic acid354-08-550 % similar
2,2-Difluoropropanoic acid373-96-650 % similar
Hexafluoroglutaric acid376-73-850 % similar
Perfluoropropionic acid422-64-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds