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

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

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

grade

Standard for quantitative NMR
certified reference material
TraceCERT®

Quality Level

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

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1,2,4,5-Tetramethylbenzene Standard for quantitative NMR, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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74658

1,2,4,5-Tetramethylbenzene

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

HPLC: suitable, gas chromatography (GC): suitable, qNMR: suitable

technique(s)

qNMR: suitable

technique(s)

qNMR: suitable

technique(s)

gas chromatography (GC): suitable, qNMR: suitable

application(s)

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

application(s)

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

application(s)

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

application(s)

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

format

neat

format

neat

format

neat

format

neat

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

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


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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Example:

T1503
Product Number
-
25G
Pack Size/Quantity

Additional examples:

705578-5MG-PW

PL860-CGA/SHF-1EA

MMYOMAG-74K-13

1000309185

enter as 1.000309185)

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Aldrich Products

  • For a lot number such as TO09019TO, enter it as 09019TO (without the first two letters 'TO').

  • For a lot number with a filling-code such as 05427ES-021, enter it as 05427ES (without the filling-code '-021').

  • For a lot number with a filling-code such as STBB0728K9, enter it as STBB0728 without the filling-code 'K9'.

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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)
Determination of nicotine, glycerol, propylene glycol and water in electronic cigarette fluids using quantitative 1H NMR
Crenshaw DM, et al.
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Using high-performance quantitative NMR (HP-qNMR) for certifying traceable and highly accurate purity values of organic reference materials with uncertainties <0.1 %
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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
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