苯-d6 99.6 atom % D, contains 0.03 % (v/v) TMS

别名:氘代苯

Empirical Formula (Hill Notation):C6D6

CAS号:1076-43-3

分子量:84.15

Beilstein:1905426

EC 号:214-061-8

MDL编号:MFCD00003010

PubChem化学物质编号:24862469

NACRES:NA.21

属性
同位素纯度
99.6 atom % D

质量水平
200

检测方案
99% (CP)

形式
liquid

包含
0.03 % (v/v) TMS

expl. lim.
0.34-6.3 % (lit.)

technique(s)
NMR: suitable

杂质
≤0.0 water
water

折射率
n20/D 1.497 (lit.)

bp
79.1 °C/760 mmHg (lit.)

mp
6.8 °C (lit.)

密度
0.950 g/mL at 25 °C (lit.)

质量偏移
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

说明
一般描述
Benzene-d6 (C6D6) is deuterated benzene. Its Soret coefficient S(T) has been measured by transient holographic grating technique.[1] Its synthesis,13C NMR, IR and MS spectra have been reported.[2][3]
应用
Benzene-d6 (C6D6) may be used in the following:
Synthesis of isotopically labeled samples.[4]
As a 1H and 13C-NMR solvent.[5][6]
In the internal calibration of benzene stock solution.[7]

物理化学性质
熔点:6.8°C
沸点:79.1°C
闪点:-11°C
折光率:1.4986
密度:0.95

质量标准
D,99.6%
外观Appearance Colorless liquid
核磁共振Proton NMR (Atom % D) ≥99.6 %
纯度Purity (GC) ≥99.00 %
水分Water (by Karl Fischer) ≤0.0100 %
TMS（v/v) 0.0260 - 0.0400 %
D,99.6% (0.03% v/v TMS)
外观Appearance Colorless liquid
核磁共振Proton NMR (Atom % D) ≥99.6 %
纯度Purity (GC) ≥99.00 %
水分Water (by Karl Fischer) ≤0.0100 %
TMS（v/v) 0.0260 - 0.0400 %
D,99.96%
外观Appearance Colorless liquid
核磁共振Proton NMR (Atom % D) ≥99.96 %
纯度Purity (GC) ≥99.00 %
水分Water (by Karl Fischer) ≤0.0100 %
D,99.96% (0.03% v/v TMS)
外观Appearance Colorless liquid
核磁共振Proton NMR (Atom % D) ≥99.96 %
纯度Purity (GC) ≥99.00 %
水分Water (by Karl Fischer) ≤0.0100 %
TMS（v/v) 0.0260 - 0.0400 %

安全信息
联合国编号
1114
Risk：
R11-Highly flammable.
高度易燃。R45-May cause cancer.
可能致癌。
Safety :
S45-In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
若发生事故或感不适，立即就医(可能的话，出示其标签)。S53-Avoid exposure - obtain special instructions before use.
避免接触，使用前须获得特别指示说明。
Hazard :
F - Flammable
易燃物品
T -Toxic
有毒物品