1,2,4,5-Tetrachloro-3-nitrobenzene

Name: 1,2,4,5-Tetrachloro-3-nitrobenzene
Brand: SIAL

qNMR standard, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym(s):

Tecnazene

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All Photos(2)

About This Item

Linear Formula:

HC₆Cl₄NO₂

CAS Number:

117-18-0

Molecular Weight:

260.89

UNSPSC Code:

41116107

NACRES:

NA.24

PubChem Substance ID:

329755983

EC Number:

204-178-2

Beilstein/REAXYS Number:

1973805

MDL number:

MFCD00007066

Product Name

1,2,4,5-Tetrachloro-3-nitrobenzene, qNMR standard, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

InChI key

XQTLDIFVVHJORV-UHFFFAOYSA-N

InChI

1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H

SMILES string

[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl

grade

certified reference material
TraceCERT^®

description

qNMR Standard for organic solvents (7.8 - 8.4 ppm)

product line

TraceCERT^®

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

304 °C (lit.)

mp

98-101 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
pharmaceutical

format

neat

Quality Level

300

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Related Categories

Certified Reference Materials

Physical & Chemical Property Standards

Application

1,2,4,5-Tetrachloro-3-nitrobenzene may be used as an internal standard in the following:

Quantification of nicotine, glycerol, propylene glycol, and water in electronic cigarette fluids using a quantitative ¹H NMR analysis method.
Quantification of free fatty acids in pharmaceutical lipids by ¹H NMR method.

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

Check out our entire range of quantitative NMR standards (qNMR standards)

Other Notes

Chemcial Shift: 7.8 - 8.4 ppm (chemical shifts may slightly vary depending on the experimental conditions)
Suitable NMR solvents: CDCl₃, DMSO-d₆

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

GHS07,GHS09

signalword

Warning

hcodes

H302,H317,H410

pcodes

P261 - P264 - P273 - P280 - P301 + P312 - P302 + P352

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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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Determination of nicotine, glycerol, propylene glycol and water in electronic cigarette fluids using quantitative 1H NMR

Crenshaw DM, et al.

Magnetic Resonance in Chemistry, 54(11), 901-901 (2016)

Determination of free fatty acids in pharmaceutical lipids by 1H NMR and comparison with the classical acid value

Skiera C, et al.

Journal of Pharmaceutical and Biomedical Analysis, 93(11), 43-50 (2014)

Using high-performance quantitative NMR (HP-qNMR) for certifying traceable and highly accurate purity values of organic reference materials with uncertainties <0.1 %

Weber, M., Hellriegel, C., Rueck, A., Sauermoser, R., and Wuethrich, J.

Accreditation and Quality Assurance, 18, 91-98 (2013)

Method development in quantitative NMR towards metrologically traceable organic certified reference materials used as (31)P qNMR standards.

Michael Weber et al.

Analytical and bioanalytical chemistry, 407(11), 3115-3123 (2014-11-25)

Quantitative nuclear magnetic resonance (qNMR) spectroscopy is employed by an increasing number of analytical and industrial laboratories for the assignment of content and quantitative determination of impurities. Within the last few years, it was demonstrated that (1)H qNMR can be

Using high-performance ¹H NMR (HP-qNMR®) for the certification of organic reference materials under accreditation guidelines--describing the overall process with focus on homogeneity and stability assessment.

Michael Weber et al.

Journal of pharmaceutical and biomedical analysis, 93, 102-110 (2013-11-05)

Quantitative NMR spectroscopy (qNMR) is gaining interest across both analytical and industrial research applications and has become an essential tool for the content assignment and quantitative determination of impurities. The key benefits of using qNMR as measurement method for the

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