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364940

Sigma-Aldrich

Benzene-d6

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

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Synonym(s):
Hexadeuterobenzene
Empirical Formula (Hill Notation):
C6D6
CAS Number:
Molecular Weight:
84.15
Beilstein:
1905426
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

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

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

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This Item
1759781758701.01766
Benzene-d6 99.6 atom % D, contains 0.03 % (v/v) TMS

Sigma-Aldrich

364940

Benzene-d6

Benzene-d6 99 atom % D

Sigma-Aldrich

175978

Benzene-d6

Benzene-d6 "100%", 99.96 atom % D

Sigma-Aldrich

175870

Benzene-d6

Benzene-D6 deuteration degree min. 99.95% for NMR spectroscopy MagniSolv™

Sigma-Aldrich

1.01766

Benzene-D6

assay

99% (CP)

assay

≥99.00%

assay

≥99% (CP)

assay

-

form

liquid

form

liquid

form

liquid

form

liquid

contains

0.03 % (v/v) TMS

contains

-

contains

-

contains

-

expl. lim.

0.34-6.3 % (lit.)

expl. lim.

0.34-6.3 % (lit.)

expl. lim.

0.34-6.3 % (lit.)

expl. lim.

1.4-8.0 % (v/v)

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

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.

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.

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accessory

Product No.
Description
Pricing

Signal Word

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

12.2 °F - closed cup

Flash Point(C)

-11 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Synthesis and Spectral Analysis of Benzene-d6.
Guo YZ, et al.
Advanced Materials Research, 1061-1062, 301-306 (2014)
Structure-property relationships in nematic gold nanoparticles.
Cseh L and Mehl GH.
Journal of Materials Chemistry, 17(4), 311-315 (2007)
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)
Biomonitoring of benzene and toluene in human blood by headspace-solid-phase microextraction.
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