Skip to Content
Merck

175870

Benzene-D6

"100%", 99.96 atom % D

Benzene-D6

Synonym(s):

Hexadeuterobenzene

Slide 1 of 1
Sign In to View Organizational & Contract Pricing

Select a Size

10 X 1 ML

CZK 7,510.00

CZK 7,510.00

Please contact Customer Service for Availability
Request a Bulk Order

About This Item

Empirical Formula (Hill Notation):
C6D6
CAS Number:
1076-43-3
Molecular Weight:
84.15
Beilstein:
1905426
EC Number:
214-061-8
MDL number:
MFCD00003010
UNSPSC Code:
12142201
PubChem Substance ID:
24850534
NACRES:
NA.21

Key Documents

View All Documentation

Skip To

Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Quality Level

100

isotopic purity

99.96 atom % D

Assay

≥99% (CP)

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

Compare Similar Items

View Full Comparison

Show Differences

1 of 4

This Item
364940151815175978
Benzene-D6 "100%", 99.96 atom % D

Sigma-Aldrich

175870

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 99 atom % D

Sigma-Aldrich

175978

Benzene-D6

isotopic purity

99.96 atom % D

isotopic purity

99.6 atom % D

isotopic purity

99.6 atom % D

isotopic purity

99 atom % D

assay

≥99% (CP)

assay

99% (CP)

assay

≥99% (CP)

assay

≥99.00%

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

mass shift

M+6

mass shift

M+6

mass shift

M+6

mass shift

M+6

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

form

liquid

form

liquid

form

liquid

form

liquid

General description

Benzene-d6 (C6D6) is a deuterated derivative of benzene. It is 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Its Soret coefficient S(T) has been measured by the transient holographic grating technique.[1] Its first resonance Raman spectrum[2] and infrared absorption intensities (in the range of 5000-450cm-1)[3] have been reported. It participates in the synthesis of isotopically labeled samples.[4]

Application

Benzene-d6 may be used as a 1H and 13C-NMR solvent.[5][6] It may also be used for the synthesis of isotopically labeled samples[4] and for the internal calibration of benzene stock solution during headspace-solid-phase microextraction.[7]

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.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCL7789
MKCJ6828
MKCD7676
MKBX4437V
MKBT8000V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)
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)
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)
View All Related Papers

Related Content

1 Review This action will navigate to reviews.

Questions

1 Review This action will navigate to reviews.

Reviews

Active Filters

  1. 1 Ratings-only review

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service