40384

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

Standard for quantitative NMR, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

• Synonym(s): Tecnazene
• 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

Properties

• grade: Standard for quantitative NMR; 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; qNMR: 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

Description

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

Recommended products

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

Safety Information

• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable