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Additional Information
Vapor...at 20°C
Vapor...at 20°C
Vapor...at 20°C
Appearanceof Solution
Clear and colorless
Appearance
Clear Liquid
Assay
=99.5% (GC)
Assay Percent Range
99.50%
99.8% min.
99.5%
99.9% (Isotopic)
99.8% (Isotopic)
Beilstein Reference
02, IV, 428
01, III, 1187
01, III, 2741
01, IV, 1279
01, IV, 39
01, IV, 54
05, IV, 797
20, III, 2305
Boiling Point
101.4°C
60.0°C
190°C
55.0°C
65.0°C to 66.0°C
77-80 C (lit.)
83°C
110.0°C
114.4°C
101.4°C
108.0°C
190.0°C
190.0°C
40.0°C
60.0°C
64.5°C
65.4°C
65.0°C
65.0°C
79.0°C to 81.0°C
Autoignition Temp
~896 °F
CAS Registry Number 1
1455-13-6
1693-74-9
2206-26-0
4472-41-7
7789-20-0
865-49-6
2206-27-1
7291-22-7
1665-00-5
17060-07-0
2037-26-5
666-52-4
7698-05-7
811-98-3
CAS_NO
4165-56-4
4165-60-0
100-41-4
17252-77-6
2037-26-5
2206-26-0
98-08-8
75-69-4
75-89-8
1735-17-7
22739-76-0
2206-27-1
33838-52-7
4472-41-7
666-52-4
6923-01-9
7291-22-7
758-12-3
865-49-6
7789-20-0
811-98-3
Chemical Name or Material
1,2-Dichloroethane-d4
Deuterium oxide
Methanol-d
N, N-Dimethylformamide-d7
Acetonitrile-d3
Dichloromethane-d2
Dimethyl sulfoxide-d6
Pyridine-d5
Acetone-D6
Toluene-d8
Chloroform-d
Dimethyl sulfoxide - D6
Deuterium chloride
Methanol-d4
Methanol - D4
Methyl sulfoxide-d6
MethylSulfoxide-d6
Tetrahydrofuran-d8
ChEBI
CHEBI:41981
CHEBI:85365
CHEBI:78217
Chemical Substance ID
24848854
24867362
24849163
24849172
24849186
24853973
329759416
24862669
24868142
24870729
24877930
24849167
24849171
24849184
24850536
24853968
24862666
24858288
24872243
24879222
329770066
329757399
329762200
Color
Colorless to Yellow
Colorless
White to Beige
Concentration
1% in...atom % D)
0.1% in...atom % D)
50% in...atom % D)
Density
0.8100g/mL
0.8880g/mL
1.1050g/mL
1.5000g/mL
0.8440g/mL
0.8880 g/mL
0.9400g/mL
1.0300 g/mL
1.0300g/mL
1.0500g/mL
1.18 g/mL
1.2000g/mL
0.8700g/mL
0.9800 g/mL
0.9800g/mL
1.1400g/mL
1.19-µg/cm3 (at 20°C)
1.1900g/mL
1.307 g/mL
1.3600g/mL
0.79g/cm3 at 20°C (68°F)
1.105g/cm3 at 20°C
Density
1.373 g/mL at 25 °C (lit.)
Composition
TMS, 0.01%
Decomposition Information
>190°C
Deuterium D
99.0% min.
99.60% min.
99.75% min.
99.80% min.
99.95% min.
99.96% min. (NMR)
99.4% min.
98.5% min.
99.50% min.
99.8% min. (NMR)
99.85% min.
EC Number
200-913-6
212-059-1
218-009-5
232-148-9
241-285-3
211-563-9
212-378-6
217-077-3
218-616-5
224-014-3
212-742-4
245-189-2
214-061-8
230-720-2
EINECS Number
218-009-5
218-617-0
232-148-9
212-378-6
215-933-0
224-745-8
212-742-4
216-898-4
230-720-2
216-776-0
Fieser Reference
13,124; 16,177
Flash Point
11°C
88°C
-20°C
12°C
4°C
-21°C
15°C (60°F)
2°C
88°C
12°C
20°C
58°C
88°C (190°F)
DOT Information
Transport...DICHLORIDE
Empirical Formula
C2H3F3O
C8H10
Flashpoint (°C)
29 C
-17 C
Formula
...
...
...
...
...
...
C₆D₁₂
CD₃CN
...
CD₃OD
CH₃COOD
D2O
...
CDCl₃
D₂O
...
Formula Weight
100.04
36.06
80.17
20.03
36.07
37.47
86.95
80.15
84.18
33.05
84.14
84.17
Formula Weight
120.39
100.21
102.99
20.02
106.17
44.07
64.13
Form
neat
For Use With Equipment
For NMR spectroscopy
Format
single component solution
H-Codes
H226-H301 +...
...
H225-H319-H336-H351-H373
H302 - H315 -...- H412 - H420
Health Hazard 1
...
HYGROSCOPIC
Danger
GHS Signal...Danger
GHS Signal...Warning
Warning
H227
Health Hazard 2
GHS H...and vapor.
GHS H...and vapor.
GHS H...drowsiness or
GHS H...irritation.
GHS H...and vapor.
GHS H...irritation.
GHS H...and vapor.
GHS H...and vapor.
GHS H...and vapor.
GHS H...or cracking.
GHS H...unborn child
GHS H...peroxides.
GHS H...peroxides.
GHS H...cancer.
GHS H...liquid.
Health Hazard 3
GHS P...if present
GHS P...contact
GHS P...breathing.
GHS P...minutes. Rem
GHS P...away
GHS P...correct to t
GHS P...INHALED: Remo
GHS P...with plenty
GHS P...knowledge, in
GHS P...
GHS P...soap and wat
GHS P...clothin
P210-P280-P370+P378q-P501c
...
Ignition Point
455°C (851°F)
270°C
270°C (518°F)
Grade
NMR
NMR Reference Standard
analytical standard
InChIKey
IAZDPXIOMUYVGZ-WFGJKAKNSA-N
JUJWROOIHBZHMG-RALIUCGRSA-N
VEXZGXHMUGYJMC-FTGQXOHASA-N
WSLDOOZREJYCGB-LNLMKGTHSA-N
WYURNTSHIVDZCO-SVYQBANQSA-N
XLYOFNOQVPJJNP-ZSJDYOACSA-N
YXFVVABEGXRONW-JGUCLWPXSA-N
CSCPPACGZOOCGX-WFGJKAKNSA-N
HEDRZPFGACZZDS-MICDWDOJSA-N
OKKJLVBELUTLKV-MZCSYVLQSA-N
OKKJLVBELUTLKV-VMNATFBRSA-N
WEVYAHXRMPXWCK-FIBGUPNXSA-N
YMWUJEATGCHHMB-DICFDUPASA-N
ZMXDDKWLCZADIW-YYWVXINBSA-N
IOD-Codes
Xn
F,Xn
Xn,N
IUPAC Name
dichloro(dideuterio)methane
...
...
(-–G–)oxolane
...
...
...
deuteriooxymethane
trichloro(deuterio)methane
(-?HG??)methan(-?H)ol
...
...
...
...
...
Linear Formula
CDCl3
...
CD₃OD
D2O
DCON(CD3)2
(CD3)2SO
CD2Cl2
CD3CN
CD3COCD3
CD3OD
CDCl₃
C6D5CD3
C8H10
CF3CH2OH
CH3OD
DCl
MDL Number
MFCD00000372
MFCD00037626
MFCD00044636
MFCD00082554
MFCD00000784
MFCD00000827
MFCD00001881
MFCD00002090
MFCD00044341
MFCD00044415
MFCD00044639
MFCD00003286
MFCD00011647
MFCD00044212
MFCD00044635
MFCD00044638
MFCD00051050
MFCD00062744
MFCD00000826
MFCD00004672
MFCD00044637
MFCD00045021
Isotopic Labels
Deuterated
Melting Point
-99.0°C
20.2°C
3.8°C
3.82°C
-41.0°C
-64.0°C
-84.0°C
-97.0°C
-98.0°C
-98°C (1013hPa)
20°C
3.8°C
-35°C
-46.0°C
-93.0°C
-99.0°C
-106.0°C
-64.0°C
20.2°C
Merck Index Reference
15, 2942
MFCD Number
MFCD00000827
MFCD00000882
MFCD00044637
MFCD00044642
MFCD00003286
MFCD00002090
MFCD00001881
MFCD00044238
MFCD00044635
MFCD00044638
MFCD00037531
MFCD00044213
MFCD00044636
MFCD00044639
Molecular Formula
C2H3N
C3H6O
CH2Cl2
CH4O
C2D6OS
C2H4Cl2
C3H7NO
C5H5N
CHCl3
ClH
H2O
C2H6OS
C4H8O
C7H8
Molecular Weight
100.04
100.19
116.30
120.38
146.11
36.46
44.071
64.117
64.12
84.133
86.939
20.03
0.0
120.375
132.34
36.066
36.07
68.14
80.138
80.156
96.23
128.14
20.027
102.978
106.17
239.93
44.07
61.06
80.16
84.166
84.17-µg/mol
33.048
72.10
84.13
MP
-44 C (lit.)
Name Note
1M solution...99.8 atom% D
99.5 atom % D
99.8 atom % D
99.8+ atom% D
99.9 atom% D
For NMR
100.0 atom % D
99 atom % D
99+ atom % D
99.5+ atom % D
99.8 atom%D
99.8+ atom % D
with 0.03% TMS, 99.9 atom%D
99 atom%D
For NMR, 99.8 atom % D
'99 atom%D
100 atom % D
99.0 atom % D
99.6+ atom % D
99.8 atom% D
99.9 atom % D
Isotopic
Molecular Weight
80.14
P-CODES
Missing...+ P313
...+ P233
P201 - P273 -...+ P313 - P502
P210-P305 +...+ P235
Packaging Layout
1 pkg in ampule
Physical Form
Crystalline Powder
Liquid
Odor
Odorless
Characteristic
Packaging
AcroSeal Glass Bottle
Ampule
Glass Bottle
10 x 1mL ampoules
Packaging
Glass Ampoule
Percent Purity
99%
99.9%
Pictogram
GHS02, GHS07, GHS08
GHS06, GHS08
GHS02, GHS05, GHS06, GHS08
GHS06,GHS08
Pub Chem CID
12197860
123113
24602
123151
71568
75151
80290
71583
160586
522634
74861
78225
522220
558519
Quantity
10 x 0.75mL
250mL
10 x 1g
25 mL
50mL
10 x 0.75 mL
100 mL
50g
5g
7.5mL
25mL
Quantity
100mL
1
100 g
10g
1mL
5mL
5 mL
10mL
Recommended Storage
Ambient temperatures
Ambient...Nitrogen
Refractive Index
1.4218
1.328
1.338
1.3726
1.443
1.476
1.494
1.3262
1.407
1.506
1.3430 to 1.3450
1.428
R-CODES
11-36-40-66-67
63-20/22-36/38-40-48/20
10-20/21/22-37/38-41
21/22-38-40-48/20/22-59
Purity
>=99.5% (GC)
RTECS Number
ZC0230000
KM5250000
S-Codes
36/37-59
16-26-36/37
26-36-39
26-36/37
SMILES
[2H]OC([2H])([2H])[2H]
CC#N
CN(C)C=O
...
...
C(Cl)Cl
CC1=CC=CC=C1
CC(=O)C
C(CCl)Cl
C(Cl)(Cl)Cl
Cl
CO
O
C1=CC=NC=C1
C1CCOC1
CS(=O)C
RIDADR
UN 1888 6.1 / PGIII
UN 1986 6.1(3) / PGIII
UN1090 -...solution
Solubility Information
Miscible with...ether.
Miscible with...
Miscible with water.
Partially...with water.
Solubility in...reaction.
Sensitivity
Hygroscopic
Moisture sensitive
Signal Word
Danger
Size
5 mm O.D....0.700 mL.
Synonym
...in methanol
acetonitrile-2,2,2-d3
chloroform, deutero
deuterated dmf
...sulfoxide
methan-d3-ol-d
methane-d2, dichloro
methane-d3, sulfinylbis
methanol-d4
methylene chloride-d2
perdeuterotoluene
2h chloroform
...99.8 atom % d
2h8 toluene
acetone-d6
ch3od
chlorohydrogen
deuterated dmso
deuterated thf
deuterium oxide usan
deuterochloroform
dimethyl-d6 sulfoxide
heavy water-d2
methane-d3-, sulfinylbis
methanol-d4, 99.8 atom % d
2h4 methanol
de85c
deuterated chloroform
deuterium...oxide
dimethylformamide d
hydrochloric acid-d
methanol d
methyl alcohol-d4
cdcl3
deuterated tetrahydrofuran
furan-d4-, tetrahydro-d4
methane-d, trichloro
toluene-d8, 99.6 atom % d
Specific Gravity
1.105
1.19
Stabilizer
Silver Foil
Target Organs
Central nervous system
Blood
Synonyms
Trifluoroethyl alcohol
TSCA
Yes
No
TSCA
Vapor Density
3.5 (vs air)
Vapor Pressure
2.5 hPa at 20°C (68°F)
128 hPa at 20°C (68°F)
2.5-?hPa (20°C)
6 hPa at 25°C
70 mmHg ( 25 °C)
Viscosity
0.39 mPa.s (20°C)
...(20°C/68°F)
1.25 mPa.s (20°C)
2.4 mPa.s (20°C)
Warning
Repeated...or cracking.
Water
0.01% max. (coulometric)
0.03% Max. (Coulometric)
0.06% max. (Coulometric)
50ppm max.
0.02% max. (Coulometric)
0.04% max. (Coulometric)
0.05% max. (Coulometric)
0.1% max. (Coulometric)
0.02% max.
WGK
1
3
UN Number
UN1184
1230
1593
1888
Viscosity
1.25 mPa.s (20°C)
2.4 mPa.s (20°C)

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Toluene-d8, 99] Atom % D 25ml

...Other Chemicals > Isotopically Labeled Compounds > NMR Solvents

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