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152005

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
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24849189
EC Number:
209-961-2
Beilstein/REAXYS Number:
1768662
MDL number:
MFCD00044563
Form:
liquid
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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

General description

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.
Trifluoroacetic acid-d is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).

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

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pictograms

CorrosionExclamation mark
GHS05,GHS07

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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 3

ppe

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

Regulatory Information

危险化学品
美国出口管控产品

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX9562
MKCX1992
MKCV5504
MKCT4237
MKCT0197

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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.

Related Content

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)
Journal of Labelled Compounds & Radiopharmaceuticals, 28, 25-25 (1990)
Anti stereochemistry in protodesilylation of an optically active allylsilane with trifluoroacetic acid-D.
Hayashi T, et al.
Tetrahedron Letters, 23(44), 4605-4606 (1982)
View All Related Papers

Global Trade Item Number

SKUGTIN
152005-10G04061838740090
152005-10X0.5ML04061838740106
152005-5X10G-N04061837649226
152005-10X0.75ML04061838740113
152005-10X1ML04061838740120
152005-25G04061838740137
152005-5G04061838740144
152005-5X25G-N04061837649233