561509
苯-D6
"100%", 99.96 atom % D, contains 0.03 % (v/v) TMS
别名:
氘代苯
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关于此项目
经验公式（希尔记法）:
C6D6
化学文摘社编号:
分子量:
84.15
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
214-061-8
Beilstein/REAXYS Number:
1905426
MDL number:
Isotopic purity:
99.96 atom % D
Assay:
≥99.0%
Mass shift:
M+6
Form:
liquid
isotopic purity
99.96 atom % D
assay
≥99.0%
form
liquid
contains
0.03 % (v/v) TMS
expl. lim.
0.34-6.3 % (lit.)
technique(s)
NMR: suitable
impurities
≤0.0100% water
water
refractive index
n20/D 1.497 (lit.)
bp
79.1 °C/760 mmHg (lit.)
mp
6.8 °C (lit.)
density
0.950 g/mL at 25 °C (lit.)
mass shift
M+6
SMILES string
[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChI
1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI key
UHOVQNZJYSORNB-MZWXYZOWSA-N
General description
Benzene-d6 (C6D6) is deuterated benzene that contains 0.03% (v/v) TMS (tetramethylsilane). Its Soret coefficient S(T) has been measured by transient holographic grating technique. Its synthesis,13C NMR, IR and MS spectra have been reported.
Application
Benzene-d6 (C6D6) may be used in the following:
- Synthesis of isotopically labeled samples.
- As a 1H and 13C-NMR solvent.
- In the internal calibration of benzene stock solution.
Other Notes
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Danger
Hazard Classifications
Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
target_organs
Blood
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
12.2 °F - closed cup
flash_point_c
-11 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
相关内容
Synthesis and Spectral Analysis of Benzene-d6.
Guo YZ, et al.
Advanced Materials Research, 1061-1062, 301-306 (2014)
Biomonitoring of benzene and toluene in human blood by headspace-solid-phase microextraction.
Schimming E, et al.
Fresenius Journal of Analytical Chemistry, 363(1), 88-91 (1999)
Surprising Titanium complexes bearing η2-pyrazolato ligands: synthesis, structure, and molecular orbital studies.
Guzei IA, et al.
Journal of the American Chemical Society, 119(14), 3387-3388 (1997)
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 561509-10X.75ML | 04061832583532 |
| 561509-.75ML | 04061837615504 |