NMR- data |
|||||
Chemical shift [ppm] (Multiplicity) | Coupling constants [Hz] | ||||
1H | 5.31 (3) | 1J(C,D) | 27.2 | ||
13C | 53.7 (5) | 2J(H,D) | 1.1 | ||
H2O/HOD- Shift | 1.52 |
Physical data |
|||
Formula | CD2Cl2 | ||
Molecular weight [g/mol] | 86.95 | ||
Density (d420) | 1.36 | ||
Melting point [°C] | -97 | ||
Boiling point [°C] | 39 | ||
Inflammation temperature [°C] | – | ||
Refraction index (nD20) | 1.4230 | ||
Dynamic viscosity (20°C) [mPa s] | 0.43 | ||
Magnetic suszeptibility (20°C) | -0.733 x 10^(-6) | ||
Dielectrical constant | 8.93 | ||
Dipole momentum [D] | 1.5 | ||
Polarity [kJ/mol] | 172.0 | ||
Donor strength [kJ/mol] | 10.0 |
Common impurities
compound | proton | multiplicity | 1H-shift [ppm] | carbon | 13C-shift [ppm] |
---|---|---|---|---|---|
water | OH | s | 1.52 | x | x |
acetic acid | CH 3 | s | 2.06 | CH 3 | 20.91 |
CO | 175.85 | ||||
acetone | CH 3 | s | 2.12 | CH 3 | 31 |
CO | 206.78 | ||||
acetonitrile | CH 3 | s | 1.97 | CH 3 | 2.03 |
CN | 116.92 | ||||
benzene | CH | s | 7.35 | CH | 128.68 |
t-butyl-alcohol | CH 3 | s | 1.24 | CH 3 | 31.46 |
OH | s | C -CH 3 | 69.11 | ||
carbon dioxide | CO 2 | 125.26 | |||
carbon disulfide | CS 2 | 192.95 | |||
carbon tetrachloride | CCl 4 | 96.52 | |||
chloroform | CH | s | 7.32 | CH | 77.99 |
18-crown-6 | CH 2 | s | 3.59 | CH 2 | 70.47 |
cyclohexane | CH 2 | s | 1.44 | CH 2 | 27.38 |
1,2-dichloroethane | CH 2 | s | 3.76 | CH 2 | 44.35 |
dichloromethane | CH 2 | s | 5.33 | CH 2 | 54.24 |
diethylether | CH 3 | t | 1.15 | CH 3 | 15.44 |
CH 2 | q | 3.43 | CH 2 | 66.11 | |
1,4-dioxane | CH 2 | s | 3.65 | CH 2 | 67.47 |
diglyme | CH 2 | m | 3.57 | CH 2 | 72.25 |
CH 2 | m | 3.5 | CH 2 | 70.7 | |
OCH 3 | s | 3.28 | OCH 3 | 58.95 | |
DME | CH 3 | s | 3.34 | CH 3 | 59.02 |
CH 2 | s | 3.49 | CH 2 | 72.24 | |
dimethylformamide | CH | s | 7.91 | CH | 162.57 |
CH 3 | s | 2.88 | CH 3 | 36.56 | |
CH 3 | s | 2.76 | CH 3 | 31.39 | |
ethane | CH 3 | s | 0.85 | CH 3 | 6.91 |
ethylene | CH 2 | s | 5.4 | CH 2 | 123.2 |
ethanol | CH 3 | t | 1.19 | CH 3 | 18.69 |
CH 2 | q | 3.66 | CH 2 | 58.57 | |
OH | s | 1.33 | x | x | |
ethylene glycol | CH 2 | s | 3.66 | CH 2 | 64.08 |
ethyl acetate | CH3CO | s | 2 | CH3CO | 21.15 |
CO | 171.24 | ||||
C H2 CH3 | q | 4.08 | C H2 CH3 | 60.63 | |
CH 2 C H 3 | t | 1.23 | CH 2 C H 3 | 14.37 | |
H grease | CH 3 | m | 0,84-0,90 | x | x |
CH 2 | broad | 1.27 | CH 2 | 30.14 | |
hexamethylbenzene | CH 3 | s | 2.2 | CH 3 | 16.71 |
C | 132.09 | ||||
n-hexane | CH 3 | t | 0.89 | CH 3 | 14.28 |
CH 2 | m | 1.27 | CH 2 (2,5) | 23.07 | |
CH 2 (3,4) | 32.01 | ||||
HMDSO | CH 3 | s | 0.07 | CH 3 | 1.96 |
HMPA | CH 3 | d | 2.6 | CH 3 | 36.99 |
hydrogen | H 2 | s | 4.59 | x | x |
imidazole | CH(2) | s | 7.63 | CH(2) | 135.76 |
CH(4,5) | s | 7.07 | CH(4,5) | 122.16 | |
methane | CH 4 | s | 0.21 | CH 4 | -4.33 |
methanol | CH 3 | s | 3.42 | CH 3 | 50.45 |
OH | s | 1.09 | x | x | |
nitromethane | CH 3 | s | 4.31 | CH 3 | 63.03 |
n-pentane | CH 3 | t | 0.89 | CH 3 | 14.24 |
CH 2 | m | 1.3 | CH 2 (2,4) | 22.77 | |
CH 2 (3) | 34.57 | ||||
propane | CH 3 | t | 0.9 | CH 3 | 16.63 |
CH 2 | septett | 1.32 | CH 2 | 16.63 | |
2-propanol | CH 3 | d | 1.17 | CH 3 | 25.43 |
CH | septett | 3.97 | CH | 64.67 | |
propylene | CH3 | d | 1.71 | CH3 | 19.47 |
CH 2 (1) | m | 4.93 | CH 2 | 115.7 | |
CH 2 (2) | m | 5.03 | x | x | |
CH | m | 5.84 | CH | 134.21 | |
pyridine | CH(2,6) | m | 8.59 | CH(2,6) | 150.27 |
CH(3,5) | m | 7.28 | CH(3,5) | 124.06 | |
CH(4) | m | 7.68 | CH(4) | 136.16 | |
pyrrole | NH | broad | 8.69 | x | x |
CH (2,5) | m | 6.79 | CH (2,5) | 117.93 | |
CH (3,4) | m | 6.19 | CH (3,4) | 108.02 | |
pyrrolidine | CH 2 (2,5) | m | 2.82 | CH 2 (2,5) | 47.02 |
CH 2 (3,4) | m | 1.67 | CH 2 (3,4) | 25.83 | |
silicon grease | CH 3 | s | 0.09 | CH 3 | 1.22 |
tetrahydrofuran | CH 2 (2,5) | m | 3.69 | CH 2 (2,5) | 68.16 |
CH 2 (3,4) | m | 1.82 | CH 2 (3,4) | 25.98 | |
Toluene | CH 3 | s | 2.31 | CH 3 | 21.53 |
C(1) | 138.36 | ||||
CH (2,4,6) | m | 7.15 | CH (2,6) | 129.35 | |
CH (3,5) | m | 7.24 | CH (3,5) | 128.54 | |
CH (4) | 125.62 | ||||
triethylamine | CH 3 | t | 0.99 | CH 3 | 12.12 |
CH 2 | q | 2.48 | CH 2 | 46.75 |
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