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Sigma-Aldrich

Trifluoroacetic acid-d

99.5 atom % D

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About This Item

Linear Formula:
CF3COOD
CAS Number:
599-00-8
Molecular Weight:
115.03
Beilstein/REAXYS Number:
1768662
EC Number:
209-961-2
MDL number:
MFCD00044563
UNSPSC Code:
12142201
PubChem Substance ID:
24849189
NACRES:
NA.21

isotopic purity

99.5 atom % D

Quality Level

200

form

liquid

technique(s)

NMR: suitable

impurities

≤0.500% water
water

refractive index

n20/D 1.3 (lit.)

bp

75 °C (lit.)

mp

-15 °C (lit.)

density

1.493 g/mL at 25 °C (lit.)

mass shift

M+1

SMILES string

[2H]OC(=O)C(F)(F)F

InChI

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

InChI key

DTQVDTLACAAQTR-DYCDLGHISA-N

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General description

Trifluoroacetic acid-d is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).
Trifluoroacetic acid-d is a synthetic reagent having isotopic purity of 99.5atom%D. It undergoes SE′ reaction with (R)-(E)-1,3-diphenyl-3-trimethylsilylpropene, via antistereochemistry to afford (R)-(E)-1,3-diphenylpropene-3-d. Vapor phase dissociation of trifluoroacetic acid-d has been studied.

Application

Trifluoroacetic acid-d may be employed as solvent to investigate the conformations of cyclic peptides by proton NMR spectra. It may be used to compose NMR solvent mixture to investigate the NMR spectra of high molecular weight polyesters such as polyglycolide (PG) and poly(ethylene terephthalate) (PET).

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accessory

Product No.
Description
Pricing

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_germany

WGK 3

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Journal of Labelled Compounds & Radiopharmaceuticals, 28, 25-25 (1990)
Conformations of cyclic peptides. IV. Nuclear magnetic resonance studies of cyclo-pentaglycyl-L-leucyl and cyclo-diglycyl-L-histidyldiglycyl-L-tyrosyl.
K D Kopple et al.
Biochemistry, 8(10), 4087-4095 (1969-10-01)
Anti stereochemistry in protodesilylation of an optically active allylsilane with trifluoroacetic acid-D.
Hayashi T, et al.
Tetrahedron Letters, 23(44), 4605-4606 (1982)
The Vapor Phase Dissociation of Some Carboxylic Acids. III. 1 Trifluoroacetic Acid and Trifluoroacetic Acid-d2, 3.
Taylor MD and Templeman MB.
Journal of the American Chemical Society, 78(13), 2950-2953 (1956)
Useful NMR solvent mixture for polyesters: Trifluoroacetic acid-d/chloroform-d.
Hariharan R and Pinkus AG.
Polym. Bull., 30(1), 91-95 (1993)

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