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396532

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
NACRES:
NA.21
PubChem Substance ID:
24864674
UNSPSC Code:
12142201
EC Number:
278-649-6
MDL number:
MFCD00037682
Isotopic purity:
≥99.5 atom % D
Assay:
≥99% (CP)
Mass shift:
M+3
Form:
liquid
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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

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.

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

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC0307V
MBBB1089V
MBBB2263V
CC0307
EB1357

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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.

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Global Trade Item Number

SKUGTIN
396532-1G04061831983357
396532-5G04061837614453