Merck
All Photos(1)

40384

Supelco

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

Standard for quantitative NMR, TraceCERT®

Linear Formula:
HC6Cl4NO2
CAS Number:
Molecular Weight:
260.89
Beilstein:
1973805
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

Quality Level

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

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

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.

Application

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

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

Legal Information

TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC

Pictograms

Exclamation markEnvironment

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Articles

High-Performance Quantitative H-1 NMR

The signal ratio of two different protons can be measured with tremendous precision, which enables the generation of certified reference materials for use as qNMR standards.

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