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570680

Benzene-D₆

Name: Benzene-D<sub>6</sub>
Brand: ALDRICH

anhydrous, ≥99.6 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

UNSPSC Code:

12142201

NACRES:

NA.11

PubChem Substance ID:

24880585

EC Number:

214-061-8

Beilstein/REAXYS Number:

1905426

MDL number:

MFCD00003010

Isotopic purity:

≥99.6 atom % D

Assay:

≥99.0%

Mass shift:

M+6

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Properties

grade

anhydrous

Quality Level

100

isotopic purity

≥99.6 atom % D

assay

≥99.0%

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

impurities

<10 ppm 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

Description

General description

Benzene-d₆ (C₆D₆) is deuterated benzene. It is an anhydrous solvent, which minimizes any interference from water peaks. It is useful in performing critical air- and moisture-sensitive NMR analysis. 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.

Other Notes

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pictograms

GHS02,GHS08,GHS07

signalword

Danger

hcodes

H225,H304,H315,H319,H340,H350,H372,H412

pcodes

P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

12.2 °F - closed cup

flash_point_c

-11 °C - closed cup

ppe

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

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