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isotopic purity
≥99.6 atom % D
Quality Level
assay
≥99% (CP)
form
liquid
expl. lim.
0.34-6.3 % (lit.)
technique(s)
NMR: suitable
refractive index
n20/D 1.421 (lit.)
bp
80.7 °C (lit.)
mp
6.5 °C (lit.)
density
0.893 g/mL at 25 °C (lit.)
mass shift
M+12
SMILES string
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI
1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChI key
XDTMQSROBMDMFD-LBTWDOQPSA-N
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General description
Recommended products
signalword
Danger
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Central nervous system
Storage Class
3 - Flammable liquids
wgk_germany
WGK 2
flash_point_f
-0.4 °F - closed cup
flash_point_c
-18 °C - closed cup
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Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.
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