485187
1-Bromohexane-d13
98 atom % D
Synonym(s):
Hexyl-d13 bromide
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About This Item
Linear Formula:
CD3C(CD2)4CD2Br
CAS Number:
Molecular Weight:
178.15
NACRES:
NA.12
PubChem Substance ID:
UNSPSC Code:
12352116
MDL number:
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+13
InChI
1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2
SMILES string
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
InChI key
MNDIARAMWBIKFW-UTBWLCBWSA-N
isotopic purity
98 atom % D
assay
99% (CP)
refractive index
n20/D 1.4475 (lit.)
bp
154-158 °C (lit.)
mp
−85 °C (lit.)
density
1.269 g/mL at 25 °C
mass shift
M+13
Quality Level
Related Categories
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
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Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
134.6 °F - closed cup
flash_point_c
57 °C - closed cup
Regulatory Information
危险化学品
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Caitlyn M Wolf et al.
Soft matter, 15(25), 5067-5083 (2019-06-12)
The molecular morphology and dynamics of conjugated polymers in the bulk solid state play a significant role in determining macroscopic charge transport properties. To understand this relationship, molecular dynamics (MD) simulations and quantum mechanical calculations are used to evaluate local
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