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Sigma-Aldrich

Benzene-D6

"100%", 99.96 atom % D

Synonym(s):

Hexadeuterobenzene

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About This Item

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

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

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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. 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.

Application

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

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accessory

Product No.
Description
Pricing

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

wgk_germany

WGK 3

flash_point_f

12.2 °F

flash_point_c

-11 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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