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About This Item
Linear Formula:
CF3COOD
CAS Number:
Molecular Weight:
115.03
Beilstein:
1768662
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21
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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).
Other Notes
Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.
Legal Information
ChemisTwin is a registered trademark of Merck KGaA, Darmstadt, Germany
accessory
Product No.
Description
Pricing
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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)
Journal of Labelled Compounds & Radiopharmaceuticals, 28, 25-25 (1990)
Useful NMR solvent mixture for polyesters: Trifluoroacetic acid-d/chloroform-d.
Hariharan R and Pinkus AG.
Polym. Bull., 30(1), 91-95 (1993)
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)
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