485187
1-溴己烷-d13
98 atom % D
别名:
己基溴-d13
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关于此项目
线性分子式:
CD3C(CD2)4CD2Br
化学文摘社编号:
分子量:
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
Packaging
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
134.6 °F - closed cup
flash_point_c
57 °C - closed cup
法规信息
危险化学品
此项目有
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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