MilliporeSigma
All Photos(1)

396532

Sigma-Aldrich

2,2,2-Trifluoroethanol-d3

≥99.5 atom % D

Linear Formula:
CF3CD2OD
CAS Number:
Molecular Weight:
103.06
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

isotopic purity

≥99.5 atom % D

Quality Level

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.

Packaging

1, 5 g in ampule

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

84.2 °F - closed cup

Flash Point(C)

29 °C - closed cup

Certificate of Analysis

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Certificate of Origin

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