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175870

Benzene-D₆

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

"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

UNSPSC Code:

12142201

NACRES:

NA.21

PubChem Substance ID:

24850534

EC Number:

214-061-8

Beilstein/REAXYS Number:

1905426

MDL number:

MFCD00003010

Isotopic purity:

99.96 atom % D

Assay:

≥99% (CP)

Mass shift:

M+6

Form:

liquid

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Properties

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

Description

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.

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

Regulatory Information

危险化学品

美国出口管控产品

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Global Trade Item Number

SKU	GTIN
175870-10X0.5ML	04061838752567
175870-10X1ML	04061837613418
175870-10X0.8ML-N	04061837613401
175870-25G	04061838752574
175870-5G	04061837613425