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Merck

91707

Trifluoroacetic acid

puriss. p.a., suitable for HPLC, ≥99.0% (GC)

Synonym(s):

TFA

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About This Item

Linear Formula:
CF3COOH
CAS Number:
76-05-1
Molecular Weight:
114.02
UNSPSC Code:
12352106
NACRES:
NA.21
PubChem Substance ID:
329770068
EC Number:
200-929-3
Beilstein/REAXYS Number:
742035
MDL number:
MFCD00004169

Product Name

Trifluoroacetic acid, puriss. p.a., suitable for HPLC, ≥99.0% (GC)

InChI

1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

InChI key

DTQVDTLACAAQTR-UHFFFAOYSA-N

SMILES string

OC(C(F)(F)F)=O

vapor density

3.9 (vs air)

vapor pressure

97.5 mmHg ( 20 °C)

grade

puriss. p.a.

assay

≥99.0% (GC)

form

liquid

technique(s)

HPLC: suitable
LC/MS: suitable

impurities

≤0.05% water

refractive index

n20/D 1.3 (lit.)

pH

1 (20 °C, 1 g/L)

bp

72.4 °C (lit.)

mp

−15.4 °C (lit.)

solubility

water: soluble

density

1.489 g/mL at 20 °C (lit.)

λ

1 cm path, H2O reference

UV absorption

λ: 260 nm Amax: 0.9
λ: 270 nm Amax: 0.1
λ: 280 nm Amax: 0.08
λ: 290 nm Amax: 0.07
λ: 300 nm Amax: 0.06
λ: 320 nm Amax: 0.05

suitability

corresponds to standard for RP gradient test

Quality Level

200

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Application

Trifluoroacetic acid (TFA) may be used in the following studies:
  • Preparation of TFA reagent for the estimation of serum vitamin A.
  • To compose the binary solvent system for the isolation of large denatured peptides by reverse phase high performance liquid chromatography.
  • A mobile-phase additive for liquid chromatography-mass spectrometry (LC-MS) analysis.
  • Preparation of artemisinin under optimized reaction conditions.

General description

Trifluoroacetic acid (TFA) is a fluorinated acetic acid. It is widely used as trifluoromethylating reagent for trifluoromethylation of aromatic compounds.

Packaging

package with 10x1mL

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

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

flash_point_f

>212.0 °F - Pensky-Martens closed cup

flash_point_c

> 100 °C - Pensky-Martens closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN9272
BCCN7740
BCCN7739
BCCN7738
BCCN7741

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Continuous-flow synthesis of the anti-malaria drug artemisinin.
François Lévesque et al.
Angewandte Chemie (International ed. in English), 51(7), 1706-1709 (2012-01-18)
Macro- and micromethods for the determination of serum vitamin A using trifluoroacetic acid.
J B Neeld et al.
The Journal of nutrition, 79, 454-462 (1963-04-01)
Guangfa Shi et al.
Organic letters, 17(1), 38-41 (2014-12-18)
Direct trifluoromethylation of arenes using TFA as the trifluoromethylating reagent was achieved with Ag as the catalyst. This reaction not only provides a new protocol for aryl C-H trifluoromethylation, but the generation of CF3· from TFA may prove useful in
Risto Kostiainen et al.
Journal of chromatography. A, 1216(4), 685-699 (2008-09-19)
The most widely used ionization techniques in liquid chromatography-mass spectrometry (LC-MS) are electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI). All three provide user friendly coupling of LC to MS. Achieving optimal LC-MS conditions is
W C Mahoney et al.
The Journal of biological chemistry, 255(23), 11199-11203 (1980-12-10)
A method employing reverse phase high performance liquid chromatography has been developed for the purification of large denatured peptides. The cyanogen bromide fragments of hemoglobin alpha, beta, and gamma chains (13 to 91 residues in length) could be separated and
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