Toluene-d8

Toluene-d8

NMR- data
	Chemical shift [ppm] (Multiplicity)		Coupling constants [Hz]
	¹H	2.09 (5)	¹J(C,D)	22.0 (CD₃)
		6.97 (H-1) (m)		24.0 (C-2,C-3)
		7.09 (H-2) (m)		19.0 (C-4)
		7.01 (H-3)	²J(H,D)	2.2
	¹³C	20.4 (7) 125.49 (3) 128.33 (3) 129.24 (3) 137.86	³J(H,D)	1.2 (H-1)
	H₂O/HOD Shift	0.45		1.1 (H-2,H-3)

Physical data
Formula	C₇D₈
Molecular weight [g/mol]	100.19
Density (d₄²⁰)	0.94
Melting point [°C]	-84.5
Boiling point [°C]	109
Inflammation temperature [°C]	4
Refraction index (n_D²⁰)	1.4940
Dynamic viscosity (20°C) [mPa s]	0.58
Magnetic suszeptibility (20°C)	-0.6179 x 10^-6
Dielectrical constant	2.4
Dipole momentum [D]	0.4
Polarity [kJ/mol]	141.9
Donor strength [kJ/mol]	–

Common impurities

compound	proton	multiplicity	1H-shift	carbon	13C-shift
water	OH	s	0.43
acetic acid	CH 3	s	1.57	CH 3	20.27
acetic acid				CO	175.3
acetone	CH 3	s	1.57	CH 3	30.03
acetone				CO	204
acetonitrile	CH 3	s	0.69	CH 3	0.03
acetonitrile				CN	115.76
benzene	CH	s	7.12	CH	128.57
t-butyl-alcohol	CH 3	s	1.03	CH 3	30.49
t-butyl-alcohol	OH	s	0.58	C -CH 3	68.12
carbon dioxide				CO 2	124.86
carbon disulfide				CS 2	192.71
carbon tetrachloride				CCl 4	96.57
chloroform	CH	s	6.1	CH	77.89
18-crown-6	CH 2	s	3.36	CH 2	70.86
cyclohexane	CH 2	s	1.4	CH 2	27.31
1,2-dichloroethane	CH 2	s	2.91	CH 2	43.4
dichloromethane	CH 2	s	4.32	CH 2	53.47
diethylether	CH 3	t	1.1	CH 3	15.47
diethylether	CH 2	q	3.25	CH 2	65.94
1,4-dioxane	CH 2	s	3.33	CH 2	67.17
diglyme	CH 2	m	3.43	CH 2	72.39
	CH 2	m	3.31	CH 2	70.92
	OCH 3	s	3.12	OCH 3	58.62
DME	CH 3	s	3.12	CH 3	58.63
DME	CH 2	s	3.31	CH 2	72.25
dimethylformamide	CH	s	7.57	CH	161.93
	CH 3	s	2.37	CH 3	35.22
	CH 3	s	1.96	CH 3	30.64
ethane	CH 3	s	0.81	CH 3	6.94
ethylene	CH 2	s	5.25	CH 2	122.92
ethanol	CH 3	t	0.97	CH 3	18.78
	CH 2	q	3.36	CH 2	57.81
	OH	s	0.83	x	x
ethylene glycol	CH 2	s	3.36	CH 2	64.29
ethyl acetate	CH3CO	s	1.69	CH3CO	20.46
				CO	170.02
	C H2 CH3	q	3.87	C H2 CH3	60.08
	CH 2 C H 3	t	0.94	CH 2 C H 3	14.23
H grease	CH 3	m	0,89-0,96	x	x
H grease	CH 2	broad	1.33	CH 2	30.31
hexamethylbenzene	CH 3	s	2.1	CH 3	16.84
hexamethylbenzene				C	131.72
n-hexane	CH 3	t	0.88	CH 3	14.34
	CH 2	m	1.22	CH 2 (2,5)	23.12
				CH 2 (3,4)	32.06
HMDSO	CH 3	s	0.1	CH 3	1.99
HMPA	CH 3	d	2.42	CH 3	36.8
hydrogen	H 2	s	4.5	x	x
imidazole	CH(2)	s	7.3	CH(2)	135.57
imidazole	CH(4,5)	s	6.86	CH(4,5)	122.13
methane	CH 4	s	0.17	CH 4	-4.34
methanol	CH 3	s	3.03	CH 3	49.9
methanol	OH	s		x	x
nitromethane	CH 3	s	3.01	CH 3	61.14
n-pentane	CH 3	t	0.87	CH 3	14.27
	CH 2	m	1.25	CH 2 (2,4)	22.79
				CH 2 (3)	34.54
propane	CH 3	t	0.89	CH 3	16.65
propane	CH 2	septett	1.32	CH 2	16.63
2-propanol	CH 3	d	0.95	CH 3	25.24
2-propanol	CH	septett	3.65	CH	64.12
propylene	CH3	d	1.55	CH3	19.32
	CH 2 (1)	m	4.92	CH 2	115.89
	CH 2 (2)	m	4.98	x	x
	CH	m	5.7	CH	133.61
pyridine	CH(2,6)	m	8.47	CH(2,6)	150.25
	CH(3,5)	m	6.67	CH(3,5)	123.46
	CH(4)	m	6.99	CH(4)	135.17
pyrrole	NH	broad	7.71	x	x
	CH (2,5)	m	6.43	CH (2,5)	117.61
	CH (3,4)	m	6.27	CH (3,4)	108.15
pyrrolidine	CH 2 (2,5)	m	2.54	CH 2 (2,5)	47.12
pyrrolidine	CH 2 (3,4)	m	1.36	CH 2 (3,4)	25.75
silicon grease	CH 3	s	0.26	CH 3	1.37
tetrahydrofuran	CH 2 (2,5)	m	3.54	CH 2 (2,5)	67.75
tetrahydrofuran	CH 2 (3,4)	m	1.43	CH 2 (3,4)	25.79
Toluene	CH 3	s	2.11	CH 3	21.37
				C(1)	137.84
	CH (2,4,6)	m	6,96-7,01	CH (2,6)	129.33
	CH (3,5)	m	7.09	CH (3,5)	128.15
				CH (4)	125.66
triethylamine	CH 3	t	0.95	CH 3	12.39
triethylamine	CH 2	q	2.39	CH 2	46.82

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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NMR- data

Physical data

Common impurities

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