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91707

Sigma-Aldrich

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
Beilstein:
742035
EC Number:
200-929-3
MDL number:
MFCD00004169
UNSPSC Code:
12352106
PubChem Substance ID:
329770068
NACRES:
NA.21

vapor density

3.9 (vs air)

Quality Level

200

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

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

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General description

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

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.

Packaging

package with 10x1mL

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Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H314,H332,H412

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1A

WGK

WGK 2

Flash Point(F)

Pensky-Martens closed cup

Flash Point(C)

Pensky-Martens closed cup

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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
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
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