2,2,2-Trifluoroethanol-d3

NMR- data

Chemical shift [ppm] (Multiplicity) Coupling constants [Hz]
1H  5.02
3.88 (4*3)
J(H,D)   2 (9)
13C  126.3 (4)
61.5 (4*5)
J(C,D) 22
 H2O/HOD SHift  5

Physical data

Formula  C2D3F3
Molecular weight [g/mol]  87.06
Density (d420)  1.42
Melting point [°C]  -44
Boiling point [°C]  77
Inflammation temperature [°C]
Refraction index (nD20)  1.30
Dynamic viscosity (20°C) [mPa s]
Magnetic suszeptibility (20°C)
Dielectrical constant
Dipole momentum [D]
Polarity [kJ/mol]
Donor strength [kJ/mol]

Common Impurities - 2,2,2-Trifluoroethanol-d3

compoundprotonmultiplicity1H-shiftcarbon13C-shift
waterOHs3.66
acetic acidCH 3s2.06CH 320.91
CO177.96
acetoneCH 3s2.19CH 332.35
CO214.98
acetonitrileCH 3s1.95CH 31
CN118.95
benzeneCHs7.36CH129.84
t-butyl-alcoholCH 3s1.28CH 331.07
OHs2.2C -CH 372.35
carbon dioxideCO 2126.92
carbon disulfideCS 2196.26
carbon tetrachlorideCCl 497.74
chloroformCHs7.33CH78.83
18-crown-6CH 2s3.64CH 270.8
cyclohexaneCH 2s1.47CH 228.34
1,2-dichloroethaneCH 2s3.71CH 245.28
dichloromethaneCH 2s5.24CH 254.46
diethyletherCH 3t1.2CH 315.33
CH 2q3.58CH 267.55
diglymeCH 2m3.67CH 273.05
CH 2m3.62CH 271.33
OCH 3s3.41OCH 359.4
dimethylformamideCHs7.86CH166.01
CH 3s2.98CH 337.76
CH 3s2.88CH 330.96
1,4-dioxaneCH 2s3.76CH 268.52
DMECH 3s3.4CH 359.52
CH 2s3.61CH 272.87
ethaneCH 3s0.85CH 37.01
ethanolCH 3t1.22CH 318.11
CH 2q3.71CH 259.68
OHsxx
ethyl acetateCH3COs2.03CH3CO21.18
CO175.55
C H2 CH3q4.14C H2 CH362.7
CH 2 C H 3t1.26CH 2 C H 314.36
ethyleneCH 2s5.4CH 2124.08
ethylene glycolCH 2s3.72CH 264.87
H greaseCH 3m0,88-0,94xx
CH 2broad1.33CH 2x
hexamethylbenzeneCH 3s2.24CH 317.04
C134.04
n-hexaneCH 3t0.91CH 314.63
CH 2m1.31CH 2 (2,5)24.06
CH 2 (3,4)33.17
HMDSOCH 3s0.08CH 32.09
HMPACH 3d2.63CH 337.21
hydrogenH 2s4.53xx
imidazoleCH(2)s7.61CH(2)136.58
CH(4,5)s7.03CH(4,5)122.93
methaneCH 4s0.18CH 4-5.88
methanolCH 3s3.44CH 350.67
OHsxx
nitromethaneCH 3s4.28CH 363.17
n-pentaneCH 3t0.9CH 314.54
CH 2m1.33CH 2 (2,4)23.75
CH 2 (3)35.76
propaneCH 3t0.9CH 316.93
CH 2septett1.33CH 217.46
2-propanolCH 3d1.2CH 325.21
CHseptett4.05CH66.69
propyleneCH3d1.7CH319.63
CH 2 (1)m4.93CH 2116.38
CH 2 (2)m5.03xx
CHm5.87CH136
pyridineCH(2,6)m8.45CH(2,6)149.76
CH(3,5)m7.4CH(3,5)126.27
CH(4)m7.82CH(4)139.62
pyrroleNHbroadxx
CH (2,5)m6.84CH (2,5)119.61
CH (3,4)m6.24CH (3,4)108.85
pyrrolidineCH 2 (2,5)m3.11CH 2 (2,5)47.43
CH 2 (3,4)m1.93CH 2 (3,4)25.73
silicon greaseCH 3s0.16CH 32.87
tetrahydrofuranCH 2 (2,5)m3.78CH 2 (2,5)69.53
CH 2 (3,4)m1.91CH 2 (3,4)26.69
TolueneCH 3s2.33CH 321.62
C(1)139.92
CH (2,4,6)m7,1-7,3CH (2,6)130.58
CH (3,5)m7,1-7,3CH (3,5)129.79
CH (4)126.82
triethylamineCH 3t1.31CH 39.51
CH 2q3.12CH 248.45

The table was taken from German. The comma is therefore the decimal point.
For example, 4.3 stands for the English 4.3.

Source:
NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist
Gregory R. Fulmer, Alexander J. M. Miller, Nathaniel H. Sherden, Hugo E. Gottlieb, Abraham Nudelman, Brian M. Stoltz, John E. Bercaw and Karen I. Goldberg
Organometallics, 2010, 29 (9), pp 2176–2179
DOI: 10.1021/om100106e

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