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175978

Sigma-Aldrich

Benzene-d6

99 atom % D

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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 atom % D

Assay

≥99.00%

form

liquid

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
364940151815915424
Benzene-d6 99 atom % D

Sigma-Aldrich

175978

Benzene-d6

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

Sigma-Aldrich

364940

Benzene-d6

Benzene-d6 99.6 atom % D

Sigma-Aldrich

151815

Benzene-d6

Benzene-d6 ≥95 atom % D, ≥99% (CP)

Sigma-Aldrich

915424

Benzene-d6

assay

≥99.00%

assay

99% (CP)

assay

≥99% (CP)

assay

≥99% (CP)

form

liquid

form

liquid

form

liquid

form

liquid

expl. lim.

0.34-6.3 % (lit.)

expl. lim.

0.34-6.3 % (lit.)

expl. lim.

0.34-6.3 % (lit.)

expl. lim.

-

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

-

impurities

≤0.0100% water
water

impurities

≤0.0100% water
water

impurities

≤0.01% water
water

impurities

-

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.

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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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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)
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)
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)

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