8.08260
Trifluoroacetic acid
for synthesis
Synonym(s):
TFA
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About This Item
Linear Formula:
CF3COOH
CAS Number:
Molecular Weight:
114.02
UNSPSC Code:
12352106
NACRES:
NA.22
EC Index Number:
200-929-3
MDL number:
Beilstein/REAXYS Number:
742035
Assay:
≥99% (acidimetric)
Grade:
synthesis grade
Bp:
72.4 °C (lit.)
Vapor pressure:
97.5 mmHg ( 20 °C)
grade
synthesis grade
Quality Level
vapor density
3.9 (vs air)
vapor pressure
97.5 mmHg ( 20 °C)
assay
≥99% (acidimetric)
form
liquid
dilution
(for synthesis)
refractive index
n20/D 1.3 (lit.)
pH
1 (10 g/L in H2O)
bp
72.4 °C (lit.)
mp
−15.4 °C (lit.)
solubility
soluble 10 g/mL
density
1.489 g/mL at 20 °C (lit.)
storage temp.
2-30°C
SMILES string
OC(C(F)(F)F)=O
InChI
1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChI key
DTQVDTLACAAQTR-UHFFFAOYSA-N
General description
Trifluoroacetic acid is widely used in organic synthesis as a solvent, catalyst and reagent. It is a strong acid and low boiling point reagent. It can be used as a catalyst for a variety of reactions such as rearrangements, functional group deprotections, oxidations, reductions, condensations, hydroarylations and trifluoromethylations.
Application
Trifluoroacetic acid can be used as a catalyst
- In the direct conversion of cyclohexanone to caprolactam using acetonitrile as the additive.
- In the synthesis of 1,2,4,5-tetrasubstituted imidazoles by four-component condensation of benzil, aldehydes, amines, and ammonium acetate.
- In the synthesis of d-α-Tterpineo from d-limonene by Markovnikov addition followed by hydrolysis.
Features and Benefits
Trifluoroacetic acid can be used as a catalyst due to its
- High acidity
- Easy elimination
- Good solubility in organic solvent and in water.
Analysis Note
Assay (acidimetric): ≥ 99.0 %
Density (d 20 °C/ 4 °C): 1.487 - 1.490
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 1.487 - 1.490
Identity (IR): passes test
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Danger
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1A
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 2
Certificates of Analysis (COA)
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Trifluoroacetic acid as an efficient catalyst for one-pot, four-component synthesis of 1, 2, 4, 5-tetrasubstituted imidazoles under microwave-assisted, solvent-free conditions
Mohammadizadeh MR, et al.
Synthetic Communications, 39(18), 3232-3242 (2009)
A Practical Synthesis of?d-?-Terpineol via Markovnikov Addition of?d-Limonene Using Trifluoroacetic Acid
Yuasa Y, et al.
Organic Process Research & Development, 10(6), 1231-1232 (2006)
Trifluoroacetic acid: Uses and recent applications in organic synthesis
Lopez SE, et al.
Journal of Fluorine Chemistry, 156, 73-100 (2013)