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Merck

1.01789

Benzene-D6

deuteration degree min. 99.5% for NMR spectroscopy MagniSolv™

Synonym(s):

Benzene-D6, 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
EC Index Number:
214-061-8
NACRES:
NA.22
MDL number:
MFCD00003010
Isotopic purity:
≥99.5 atom % D
Form:
liquid

Key Documents

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SMILES string

c1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H]

InChI

1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D

InChI key

UHOVQNZJYSORNB-MZWXYZOWSA-N

vapor pressure

101 hPa ( 20 °C)

isotopic purity

≥99.5 atom % D

form

liquid

autoignition temp.

555 °C

potency

930 mg/kg LD50, oral (Rat), >8260 mg/kg LD50, skin (Rabbit)

expl. lim.

1.4-8.0 % (v/v)

technique(s)

NMR: suitable

impurities

≤0.02% Water (HO) (NMR)

kinematic viscosity

0.78 cSt(20 °C)

bp

79 °C/1013 hPa

mp

6.7 °C

transition temp

flash point -11 °C

density

0.95 g/cm3 at 20 °C

storage temp.

no temp limit

Quality Level

200

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General description

A wide range of MagniSolv deuterated solvents with extremely low residual water, excellent chemical purity, and the highest isotopic enrichment available can satisfy the most demanding requirements of researchers. Depending on application and sensitivity of the NMR spectrometer our offer solvents with deuteration degrees between 98% and 99.96%. In case of all the water soluble deuterated standard products, water content is specified according to both Karl Fischer and NMR.

Application

Benzene-D6 deuteration degree min. 99.5% for NMR spectroscopy MagniSolv. CAS 1076-43-3, molar mass 84.15 g/mol.

Analysis Note

Deuteration degree: ≥ 99.5 %
Water (NMR, HO): ≤ 0.02 %
Performance test (NMR-spectrum): passes test

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.

Legal Information

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

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

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

12.2 °F - closed cup

flash_point_c

-11 °C - closed cup

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.

Flammable liquids + Type 1 petroleums + Hazardous rank II + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

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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Global Trade Item Number

SKUGTIN
1.01789.010004022536025315
1.01789.000904022536025292

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