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152005

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:
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

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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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

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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)

Articles

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

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