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About This Item
Linear Formula:
CD3(CD2)3CD3
CAS Number:
Molecular Weight:
84.22
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21
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isotopic purity
98 atom % D
Quality Level
assay
99% (CP)
form
liquid
technique(s)
NMR: suitable
refractive index
n20/D 1.358 (lit.)
bp
36 °C (lit.)
mp
-130 °C (lit.)
density
0.731 g/mL at 25 °C (lit.)
mass shift
M+12
SMILES string
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3/i1D3,2D3,3D2,4D2,5D2
Inchi Key
OFBQJSOFQDEBGM-HYVJACIRSA-N
General description
Pentane-d12 is a deuterated NMR solvent useful in NMR-based research and analyses.
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signalword
Danger
hcodes
Hazard Classifications
Asp. Tox. 1 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
Storage Class
3 - Flammable liquids
wgk_germany
WGK 3
flash_point_f
-56.2 °F - closed cup
flash_point_c
-49.00 °C - closed cup
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