176605
氯苯-d5
99 atom % D
别名:
五氘代氯苯
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关于此项目
经验公式（希尔记法）:
C6D5Cl
化学文摘社编号:
分子量:
117.59
UNSPSC Code:
12142201
NACRES:
NA.11
PubChem Substance ID:
EC Number:
221-482-0
Beilstein/REAXYS Number:
1866335
MDL number:
Isotopic purity:
99 atom % D
Assay:
99% (CP)
Mass shift:
M+5
Form:
liquid
isotopic purity
99 atom % D
Quality Level
assay
99% (CP)
form
liquid
technique(s)
GC/MS: suitable, NMR: suitable
refractive index
n20/D 1.522 (lit.)
bp
130-130.5 °C (lit.)
density
1.157 g/mL at 25 °C (lit.)
mass shift
M+5
SMILES string
[2H]c1c([2H])c([2H])c(Cl)c([2H])c1[2H]
InChI
1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
InChI key
MVPPADPHJFYWMZ-RALIUCGRSA-N
General description
氯苯-5 是同位素纯度为99原子%D的氯苯的氘代衍生物。在液晶溶剂中研究了氯苯-d5的1HNMR（质子核磁共振）和2HNMR（氘核磁共振）光谱，以评估四极偶合常数（DQCC）和氘的不对称参数（η ）。报告的值是：报告的值为：DQCC邻 = 180(2)kHz, η邻 = 0.06(1), DQCC间 = 174(2)kHz, η间 = 0.09(3), DQCC对位= 182(4)kHz, η对位 = 0.06(4)]。
氯苯-d5可用作热解吸/气相色谱/质谱（TD / GC / MS）分析中高分子量和低挥发性化合物的内标。
Application
可用作分析标准品。
Other Notes
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Flam. Liq. 3 - Skin Irrit. 2
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
75.2 °F - closed cup
flash_point_c
24.0 °C - closed cup
法规信息
危险化学品
美国出口管控产品
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全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 176605-5X5G-N | 04061837613517 |
| 176605-5G | 04061837613500 |
| 176605-1G | 04061837613494 |