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Merck
CN

612197

2,2,2-Trifluoroethanol-1,1-d2

99.5 atom % D

Synonym(s):

2,2,2-Trifluoroethyl-1,1-d2 alcohol

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About This Item

Linear Formula:
CF3CD2OH
CAS Number:
Molecular Weight:
102.05
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12142201
MDL number:
Isotopic purity:
99.5 atom % D
Assay:
99% (CP)
Mass shift:
M+2
Form:
liquid
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isotopic purity

99.5 atom % D

Quality Segment

assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

impurities

≤0.05% water
water

bp

77-80 °C (lit.)

mp

-44 °C (lit.)

density

1.373 g/mL

mass shift

M+2

SMILES string

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

InChI

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

InChI key

RHQDFWAXVIIEBN-DICFDUPASA-N

General description

2,2,2-Trifluoroethanol-1,1-d2 (2,2,2-Trifluoroethyl-1,1-d2 alcohol, TFE-d2) is a deutered trifluoroethanol that may be employed as an NMR solvent.

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.


signalword

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

3 - Flammable liquids

wgk

WGK 1

flash_point_f

84.2 °F - closed cup

flash_point_c

29 °C - closed cup



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