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MilliporeSigma

40384

Supelco

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

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

Synonym(s):

Tecnazene

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About This Item

Linear Formula:
HC6Cl4NO2
CAS Number:
117-18-0
Molecular Weight:
260.89
Beilstein/REAXYS Number:
1973805
EC Number:
204-178-2
MDL number:
MFCD00007066
UNSPSC Code:
41116107
PubChem Substance ID:
329755983
NACRES:
NA.24

Key Documents

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grade

certified reference material
TraceCERT®

Quality Level

300

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

SMILES string

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

InChI

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

InChI key

XQTLDIFVVHJORV-UHFFFAOYSA-N

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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)

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.

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

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk_germany

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)
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)
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
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
Carina S D Wink et al.
Analytical and bioanalytical chemistry, 407(6), 1545-1557 (2015-01-13)
Lefetamine (N,N-dimethyl-1,2-diphenylethylamine, L-SPA) was marketed as an opioid analgesic in Japan and Italy. After being widely abused, it became a controlled substance. It seems to be a pharmaceutical lead for designer drugs because N-ethyl-1,2-diphenylethylamine (NEDPA) and N-iso-propyl-1,2-diphenylethylamine (NPDPA) were confiscated

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