175978

Sigma-Aldrich

Benzene-d6

99 atom % D

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

Quality Level

isotopic purity

99 atom % D

assay

≥99.00%

form

liquid

expl. lim.

0.34-6.3 % (lit.)

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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General description

Benzene-d6 (C6D6) is a deuterated derivative of benzene. Its Soret coefficient S(T) has been measured by the transient holographic grating technique. Its first resonance Raman spectrum and infrared absorption intensities (in the range of 5000-450cm-1) have been reported. It participates in the synthesis of isotopically labeled samples.

Packaging

10 g in ampule
50 g in glass bottle

Signal Word

Danger

Target Organs

Blood

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN1114 - class 3 - PG 2 - Benzene, solution

WGK Germany

WGK 3

Flash Point(F)

12.2 °F - closed cup

Flash Point(C)

-11 °C - closed cup

Eun Mi Kim et al.
Food chemistry, 293, 278-284 (2019-06-04)
A headspace sampling-gas chromatography/mass spectrometry (HS-GC/MS) method using mild HS conditions (40 °C, 30 min) was established, validated in terms of specificity, linearity (1.75-87.65 ng mL-1), precision (0.3-9.1% RSD), and accuracy (81.1-117.7%); and applied for the monitoring of 900 commercial beverage samples of six...
Resonance Raman scattering of benzene and benzene-d6 with 212.8 nm excitation.
Ziegler LD and Hudson B.
J. Chem. Phys. , 74(2), 982-992 (1981)
G Wittko et al.
The Journal of chemical physics, 123(1), 014506-014506 (2005-07-23)
The Soret coefficients S(T) of the liquids acetone, benzene, benzene-d1, 1,3,5-benzene-d3, benzene-d5, benzene-13C6, benzene-d6, n-hexane, toluene, 1,2,3,4-tetrahydronaphthalene, isobutylbenzene, and 1,6-dibromohexane have been measured in protonated and perdeuterated cyclohexane by a transient holographic grating technique. It has been found that S(T)...
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)
The conformational distribution in diphenylmethane determined by nuclear magnetic resonance spectroscopy of a sample dissolved in a nematic liquid crystalline solvent.
Celebre G, et al.
J. Chem. Phys. , 118(14), 6417-6426 (2003)

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