{"id":730,"date":"2013-12-10T22:50:04","date_gmt":"2013-12-10T20:50:04","guid":{"rendered":"https:\/\/wissen.science-and-fun.de\/chemistry\/?p=730"},"modified":"2019-04-02T17:12:34","modified_gmt":"2019-04-02T15:12:34","slug":"222-trifluoroethanol-d3","status":"publish","type":"post","link":"https:\/\/wissen.science-and-fun.de\/chemistry\/2013\/12\/10\/222-trifluoroethanol-d3\/","title":{"rendered":"2,2,2-Trifluoroethanol-d3"},"content":{"rendered":"\n\n\n\n\n\n\n\n
\n

NMR- data<\/h3>\n<\/td>\n<\/tr>\n

<\/td>\nChemical shift [ppm] (Multiplicity)<\/td>\nCoupling constants [Hz]<\/td>\n<\/td>\n<\/tr>\n
1<\/sup>H<\/td>\n\u00a05.02
\n3.88 (4*3)<\/td>\n		J(H,D)<\/td>\n\u00a0 2 (9)<\/td>\n<\/tr>\n
13<\/sup>C<\/td>\n\u00a0126.3 (4)
\n61.5 (4*5)<\/td>\n		J(C,D)<\/td>\n\n22<\/td>\n<\/tr>\n
<\/td>\n<\/tr>\n
\u00a0H2<\/sub>O\/HOD SHift<\/td>\n\u00a05<\/span><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n

Physical data<\/h3>\n<\/td>\n<\/tr>\n

Formula<\/td>\n\u00a0C2<\/sub>D3<\/sub>F3<\/sub><\/td>\n<\/tr>\n
Molecular weight [g\/mol]<\/td>\n\u00a087.06<\/td>\n<\/tr>\n
Density (d4<\/sub>20<\/sup>)<\/td>\n\u00a01.42<\/td>\n<\/tr>\n
Melting point [\u00b0C]<\/td>\n\u00a0-44<\/td>\n<\/tr>\n
Boiling point [\u00b0C]<\/td>\n\u00a077<\/td>\n<\/tr>\n
Inflammation temperature [\u00b0C]<\/td>\n<\/td>\n<\/tr>\n
Refraction index (nD<\/sub>20<\/sup>)<\/td>\n\u00a01.30<\/td>\n<\/tr>\n
Dynamic viscosity (20\u00b0C) [mPa s]<\/td>\n<\/td>\n<\/tr>\n
Magnetic suszeptibility (20\u00b0C)<\/td>\n<\/td>\n<\/tr>\n
Dielectrical constant<\/td>\n<\/td>\n<\/tr>\n
Dipole momentum [D]<\/td>\n<\/td>\n<\/tr>\n
Polarity [kJ\/mol]<\/td>\n<\/td>\n<\/tr>\n
Donor strength [kJ\/mol]<\/td>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

Common Impurities - 2,2,2-Trifluoroethanol-d3<\/h2>\n\n\n\n\n\t\n\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t
compound<\/th>proton<\/th>multiplicity<\/th>1H-shift<\/th>carbon<\/th>13C-shift<\/th>\n<\/tr>\n<\/thead>\n
water<\/td>OH<\/td>s<\/td>3.66<\/td><\/td><\/td>\n<\/tr>\n
acetic acid<\/td>CH 3<\/td>s<\/td>2.06<\/td>CH 3<\/td>20.91<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>CO<\/td>177.96<\/td>\n<\/tr>\n
acetone<\/td>CH 3<\/td>s<\/td>2.19<\/td>CH 3<\/td>32.35<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>CO<\/td>214.98<\/td>\n<\/tr>\n
acetonitrile<\/td>CH 3<\/td>s<\/td>1.95<\/td>CH 3<\/td>1<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>CN<\/td>118.95<\/td>\n<\/tr>\n
benzene<\/td>CH<\/td>s<\/td>7.36<\/td>CH<\/td>129.84<\/td>\n<\/tr>\n
t-butyl-alcohol<\/td>CH 3<\/td>s<\/td>1.28<\/td>CH 3<\/td>31.07<\/td>\n<\/tr>\n
<\/td>OH<\/td>s<\/td>2.2<\/td>C -CH 3<\/td>72.35<\/td>\n<\/tr>\n
carbon dioxide<\/td><\/td><\/td><\/td>CO 2<\/td>126.92<\/td>\n<\/tr>\n
carbon disulfide<\/td><\/td><\/td><\/td>CS 2<\/td>196.26<\/td>\n<\/tr>\n
carbon tetrachloride<\/td><\/td><\/td><\/td>CCl 4<\/td>97.74<\/td>\n<\/tr>\n
chloroform<\/td>CH<\/td>s<\/td>7.33<\/td>CH<\/td>78.83<\/td>\n<\/tr>\n
18-crown-6<\/td>CH 2<\/td>s<\/td>3.64<\/td>CH 2<\/td>70.8<\/td>\n<\/tr>\n
cyclohexane<\/td>CH 2<\/td>s<\/td>1.47<\/td>CH 2<\/td>28.34<\/td>\n<\/tr>\n
1,2-dichloroethane<\/td>CH 2<\/td>s<\/td>3.71<\/td>CH 2<\/td>45.28<\/td>\n<\/tr>\n
dichloromethane<\/td>CH 2<\/td>s<\/td>5.24<\/td>CH 2<\/td>54.46<\/td>\n<\/tr>\n
diethylether<\/td>CH 3<\/td>t<\/td>1.2<\/td>CH 3<\/td>15.33<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>q<\/td>3.58<\/td>CH 2<\/td>67.55<\/td>\n<\/tr>\n
diglyme<\/td>CH 2<\/td>m<\/td>3.67<\/td>CH 2<\/td>73.05<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>m<\/td>3.62<\/td>CH 2<\/td>71.33<\/td>\n<\/tr>\n
<\/td>OCH 3<\/td>s<\/td>3.41<\/td>OCH 3<\/td>59.4<\/td>\n<\/tr>\n
dimethylformamide<\/td>CH<\/td>s<\/td>7.86<\/td>CH<\/td>166.01<\/td>\n<\/tr>\n
<\/td>CH 3<\/td>s<\/td>2.98<\/td>CH 3<\/td>37.76<\/td>\n<\/tr>\n
<\/td>CH 3<\/td>s<\/td>2.88<\/td>CH 3<\/td>30.96<\/td>\n<\/tr>\n
1,4-dioxane<\/td>CH 2<\/td>s<\/td>3.76<\/td>CH 2<\/td>68.52<\/td>\n<\/tr>\n
DME<\/td>CH 3<\/td>s<\/td>3.4<\/td>CH 3<\/td>59.52<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>s<\/td>3.61<\/td>CH 2<\/td>72.87<\/td>\n<\/tr>\n
ethane<\/td>CH 3<\/td>s<\/td>0.85<\/td>CH 3<\/td>7.01<\/td>\n<\/tr>\n
ethanol<\/td>CH 3<\/td>t<\/td>1.22<\/td>CH 3<\/td>18.11<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>q<\/td>3.71<\/td>CH 2<\/td>59.68<\/td>\n<\/tr>\n
<\/td>OH<\/td>s<\/td><\/td>x<\/td>x<\/td>\n<\/tr>\n
ethyl acetate<\/td>CH3CO<\/td>s<\/td>2.03<\/td>CH3CO<\/td>21.18<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>CO<\/td>175.55<\/td>\n<\/tr>\n
<\/td>C H2 CH3<\/td>q<\/td>4.14<\/td>C H2 CH3<\/td>62.7<\/td>\n<\/tr>\n
<\/td>CH 2 C H 3<\/td>t<\/td>1.26<\/td>CH 2 C H 3<\/td>14.36<\/td>\n<\/tr>\n
ethylene<\/td>CH 2<\/td>s<\/td>5.4<\/td>CH 2<\/td>124.08<\/td>\n<\/tr>\n
ethylene glycol<\/td>CH 2<\/td>s<\/td>3.72<\/td>CH 2<\/td>64.87<\/td>\n<\/tr>\n
H grease<\/td>CH 3<\/td>m<\/td>0,88-0,94<\/td>x<\/td>x<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>broad<\/td>1.33<\/td>CH 2<\/td>x<\/td>\n<\/tr>\n
hexamethylbenzene<\/td>CH 3<\/td>s<\/td>2.24<\/td>CH 3<\/td>17.04<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>C<\/td>134.04<\/td>\n<\/tr>\n
n-hexane<\/td>CH 3<\/td>t<\/td>0.91<\/td>CH 3<\/td>14.63<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>m<\/td>1.31<\/td>CH 2 (2,5)<\/td>24.06<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>CH 2 (3,4)<\/td>33.17<\/td>\n<\/tr>\n
HMDSO<\/td>CH 3<\/td>s<\/td>0.08<\/td>CH 3<\/td>2.09<\/td>\n<\/tr>\n
HMPA<\/td>CH 3<\/td>d<\/td>2.63<\/td>CH 3<\/td>37.21<\/td>\n<\/tr>\n
hydrogen<\/td>H 2<\/td>s<\/td>4.53<\/td>x<\/td>x<\/td>\n<\/tr>\n
imidazole<\/td>CH(2)<\/td>s<\/td>7.61<\/td>CH(2)<\/td>136.58<\/td>\n<\/tr>\n
<\/td>CH(4,5)<\/td>s<\/td>7.03<\/td>CH(4,5)<\/td>122.93<\/td>\n<\/tr>\n
methane<\/td>CH 4<\/td>s<\/td>0.18<\/td>CH 4<\/td>-5.88<\/td>\n<\/tr>\n
methanol<\/td>CH 3<\/td>s<\/td>3.44<\/td>CH 3<\/td>50.67<\/td>\n<\/tr>\n
<\/td>OH<\/td>s<\/td><\/td>x<\/td>x<\/td>\n<\/tr>\n
nitromethane<\/td>CH 3<\/td>s<\/td>4.28<\/td>CH 3<\/td>63.17<\/td>\n<\/tr>\n
n-pentane<\/td>CH 3<\/td>t<\/td>0.9<\/td>CH 3<\/td>14.54<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>m<\/td>1.33<\/td>CH 2 (2,4)<\/td>23.75<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>CH 2 (3)<\/td>35.76<\/td>\n<\/tr>\n
propane<\/td>CH 3<\/td>t<\/td>0.9<\/td>CH 3<\/td>16.93<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>septett<\/td>1.33<\/td>CH 2<\/td>17.46<\/td>\n<\/tr>\n
2-propanol<\/td>CH 3<\/td>d<\/td>1.2<\/td>CH 3<\/td>25.21<\/td>\n<\/tr>\n
<\/td>CH<\/td>septett<\/td>4.05<\/td>CH<\/td>66.69<\/td>\n<\/tr>\n
propylene<\/td>CH3<\/td>d<\/td>1.7<\/td>CH3<\/td>19.63<\/td>\n<\/tr>\n
<\/td>CH 2 (1)<\/td>m<\/td>4.93<\/td>CH 2<\/td>116.38<\/td>\n<\/tr>\n
<\/td>CH 2 (2)<\/td>m<\/td>5.03<\/td>x<\/td>x<\/td>\n<\/tr>\n
<\/td>CH<\/td>m<\/td>5.87<\/td>CH<\/td>136<\/td>\n<\/tr>\n
pyridine<\/td>CH(2,6)<\/td>m<\/td>8.45<\/td>CH(2,6)<\/td>149.76<\/td>\n<\/tr>\n
<\/td>CH(3,5)<\/td>m<\/td>7.4<\/td>CH(3,5)<\/td>126.27<\/td>\n<\/tr>\n
<\/td>CH(4)<\/td>m<\/td>7.82<\/td>CH(4)<\/td>139.62<\/td>\n<\/tr>\n
pyrrole<\/td>NH<\/td>broad<\/td><\/td>x<\/td>x<\/td>\n<\/tr>\n
<\/td>CH (2,5)<\/td>m<\/td>6.84<\/td>CH (2,5)<\/td>119.61<\/td>\n<\/tr>\n
<\/td>CH (3,4)<\/td>m<\/td>6.24<\/td>CH (3,4)<\/td>108.85<\/td>\n<\/tr>\n
pyrrolidine<\/td>CH 2 (2,5)<\/td>m<\/td>3.11<\/td>CH 2 (2,5)<\/td>47.43<\/td>\n<\/tr>\n
<\/td>CH 2 (3,4)<\/td>m<\/td>1.93<\/td>CH 2 (3,4)<\/td>25.73<\/td>\n<\/tr>\n
silicon grease<\/td>CH 3<\/td>s<\/td>0.16<\/td>CH 3<\/td>2.87<\/td>\n<\/tr>\n
tetrahydrofuran<\/td>CH 2 (2,5)<\/td>m<\/td>3.78<\/td>CH 2 (2,5)<\/td>69.53<\/td>\n<\/tr>\n
<\/td>CH 2 (3,4)<\/td>m<\/td>1.91<\/td>CH 2 (3,4)<\/td>26.69<\/td>\n<\/tr>\n
Toluene<\/td>CH 3<\/td>s<\/td>2.33<\/td>CH 3<\/td>21.62<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>C(1)<\/td>139.92<\/td>\n<\/tr>\n
<\/td>CH (2,4,6)<\/td>m<\/td>7,1-7,3<\/td>CH (2,6)<\/td>130.58<\/td>\n<\/tr>\n
<\/td>CH (3,5)<\/td>m<\/td>7,1-7,3<\/td>CH (3,5)<\/td>129.79<\/td>\n<\/tr>\n
<\/td><\/td><\/td><\/td>CH (4)<\/td>126.82<\/td>\n<\/tr>\n
triethylamine<\/td>CH 3<\/td>t<\/td>1.31<\/td>CH 3<\/td>9.51<\/td>\n<\/tr>\n
<\/td>CH 2<\/td>q<\/td>3.12<\/td>CH 2<\/td>48.45<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n\n

The table was taken from German. The comma is therefore the decimal point.
\nFor example, 4.3 stands for the English 4.3.<\/p>\n

Source:
\nNMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist
\nGregory R. Fulmer, Alexander J. M. Miller, Nathaniel H. Sherden, Hugo E. Gottlieb, Abraham Nudelman, Brian M. Stoltz, John E. Bercaw and Karen I. Goldberg
\nOrganometallics, 2010, 29 (9), pp 2176\u20132179
\nDOI: 10.1021\/om100106e<\/p>\n","protected":false},"excerpt":{"rendered":"

NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H \u00a05.02 3.88 (4*3) J(H,D) \u00a0 2 (9) 13C \u00a0126.3 (4) 61.5 (4*5) J(C,D) 22 \u00a0H2O\/HOD SHift \u00a05 Physical data Formula \u00a0C2D3F3 Molecular weight [g\/mol] \u00a087.06 Density (d420) \u00a01.42 Melting point [\u00b0C] \u00a0-44 Boiling point [\u00b0C] \u00a077 Inflammation temperature [\u00b0C] Refraction index (nD20) \u00a01.30 Dynamic viscosity … <\/p>\n

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