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Methyl 3,5-dinitrobenzoate

Standard for quantitative NMR, 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
EC Number:
220-289-9
MDL number:
MFCD00017016
UNSPSC Code:
41116107
PubChem Substance ID:
329770378
NACRES:
NA.24

grade

Standard for quantitative NMR
TraceCERT®

Quality Level

300

form

powder

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

qNMR: suitable

mp

107-109 °C (lit.)

application(s)

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

SMILES string

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

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

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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


  • Antifungal activity against Candida albicans of methyl 3,5-dinitrobenzoate loaded nanoemulsion: This study explores the application of methyl 3,5-dinitrobenzoate within nanoemulsions, showing promising antifungal activity against Candida albicans, highlighting its potential in developing advanced pharmaceutical formulations and research chemicals for antifungal therapies (Duarte et al., 2024).

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Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Choose from one of the most recent versions:

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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