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Merck
CN

394300

Trifluoroacetic acid-d

99 atom % D

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About This Item

Linear Formula:
CF3COOD
CAS Number:
599-00-8
Molecular Weight:
115.03
EC Number:
209-961-2
UNSPSC Code:
12142201
PubChem Substance ID:
24864586
Beilstein/REAXYS Number:
1768662
MDL number:
MFCD00044563

Key Documents

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Product Name

Trifluoroacetic acid-d, 99 atom % D

InChI key

DTQVDTLACAAQTR-DYCDLGHISA-N

InChI

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

SMILES string

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

isotopic purity

99 atom % D

form

liquid

technique(s)

NMR: suitable

impurities

≤0.5000% 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

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Application

Trifluoroacetic acid-d may be used as a 1H NMR and 13C NMR solvent.

General description

Trifluoroacetic acid-d (d-TFA) is trifluoroacetic acid with hydrogen of the –OH group replaced by deuterium. It is usually added to other NMR solvents to shift the active hydrogen of organic compounds to low field. Trifluoroacetic acid is a non-oxidizing acid and a non-aqueous solvent which is miscible with many organic solvents. It has the ability to dissolve proteins and some polymers.

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

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKBW9161V
MKBT0834V
MKBS3934V
MKBD8869
MKBB6800

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