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Merck
CN

364940

苯-D6

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

别名:

氘代苯

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经验公式（希尔记法）:
C6D6
化学文摘社编号:
1076-43-3
分子量:
84.15
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24862469
EC Number:
214-061-8
Beilstein/REAXYS Number:
1905426
MDL number:
MFCD00003010
Isotopic purity:
99.6 atom % D
Assay:
99% (CP)
Mass shift:
M+6
Form:
liquid

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产品名称

苯-D6, 99.6 atom % D, contains 0.03 % (v/v) TMS

InChI key

UHOVQNZJYSORNB-MZWXYZOWSA-N

InChI

1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D

SMILES string

[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]

isotopic purity

99.6 atom % D

assay

99% (CP)

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

Quality Level

200

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相关类别

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.

General description

Benzene-d6 (C6D6) is deuterated benzene. Its Soret coefficient S(T) has been measured by transient holographic grating technique. Its synthesis,13C NMR, IR and MS spectra have been reported.

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

signalword

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
美国出口管控产品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MKDB1433
MKCX8311
MKCV8764
MKCW0739
MKCT2640

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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)
Structure-property relationships in nematic gold nanoparticles.
Cseh L and Mehl GH.
Journal of Materials Chemistry, 17(4), 311-315 (2007)
Infrared intensities of liquids XXII: Optical and dielectric constants, molar polarizabilities, and integrated intensities of liquid benzene-d6 at 25?C between 5000 and 450 cm-1.
Bertie JE and Keefe CD.
Fresenius Journal of Analytical Chemistry, 362(1), 91-108 (1998)
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相关内容

Nuclear Magnetic Resonance (NMR)

NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.

核磁共振(NMR)_核磁共振波谱法原理_核磁共振波谱法应用-默克生命科学

默克分享核磁共振波谱法是一种测定样本分子结构和化学成分的分析技术，主要分析自旋原子核和强磁场之间的相互作用。其工作原理是外加静磁场引起分子中的特定原子核选择性吸收射频，通过所吸收的能量诱导核自旋的跃迁并呈现在共振谱上。

NMR Solvents

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