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Merck

94681

Methyl 3,5-dinitrobenzoate

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

Synonym(s):

3,5-Dinitrobenzoic acid methyl ester, NSC 7317

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About This Item

Linear Formula:
(O2N)2C6H3CO2CH3
CAS Number:
2702-58-1
Molecular Weight:
226.14
NACRES:
NA.24
PubChem Substance ID:
329770378
UNSPSC Code:
41116107
EC Number:
220-289-9
MDL number:
MFCD00017016

Product Name

Methyl 3,5-dinitrobenzoate, qNMR standard, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

InChI

1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3

InChI key

POGCCFLNFPIIGW-UHFFFAOYSA-N

SMILES string

COC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O

grade

TraceCERT®

form

powder

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

mp

107-109 °C (lit.)

application(s)

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

Quality Level

300

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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)
This certified reference material (CRM) is produced in accordance with ISO 17034 and characterized in accordance with ISO/IEC 17025. This CRM is traceable to SI unit kg and measured against primary material from a National Metrology Institute (NMI), e.g. NIST.

Please visit ISO certificates and Site Quality Self-Assessments to access the current certificates of accreditation.

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Other Notes

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 mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL0631
BCCF2011
BCBW3152
BCBV0830
BCBS0792V

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Method development in quantitative NMR towards metrologically traceable organic certified reference materials used as 31P qNMR standards.
Weber, M., Hellriegel, C., Rueck, A., Wuethrich, J., Jenks, P., and Obkircher, M.
Analytical and Bioanalytical Chemistry (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)
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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