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Sigma-Aldrich

2,2,2-Trifluoroethanol-d3

≥99.5 atom % D

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About This Item

Linear Formula:
CF3CD2OD
CAS Number:
77253-67-9
Molecular Weight:
103.06
EC Number:
278-649-6
MDL number:
MFCD00037682
UNSPSC Code:
12142201
PubChem Substance ID:
24864674
NACRES:
NA.21

isotopic purity

≥99.5 atom % D

Assay

≥99% (CP)

form

liquid

technique(s)

NMR: suitable

impurities

≤0.05% water
water

refractive index

n20/D 1.3 (lit.)

bp

77-80 °C (lit.)

mp

−44 °C (lit.)

density

1.415 g/mL at 25 °C (lit.)

mass shift

M+3

SMILES string

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

InChI

1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D

InChI key

RHQDFWAXVIIEBN-IDPMSXFZSA-N

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General description

2,2,2-Trifluoroethanol-d3 (TFEd3) is 2,2,2-trifluoroethanol in which hydrogen of the –OH group is substituted with deuterium. It is a commonly used 1H NMR and 13C NMR solvent.

Application

Recent uses include a gas-phase study of the silaformamide ion and an investigation of substituent effects in photosolvolysis.

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Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Dam. 1 - Flam. Liq. 3 - Repr. 1B - STOT RE 2 Inhalation

Target Organs

Blood

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

84.2 °F - closed cup

Flash Point(C)

29 °C - closed cup

Certificates of Analysis (COA)

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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.

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.

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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