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94681

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Methyl 3,5-dinitrobenzoate

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

Synonyme(s) :

3,5-Dinitrobenzoic acid methyl ester, NSC 7317

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About This Item

Formule linéaire :
(O2N)2C6H3CO2CH3
Numéro CAS:
2702-58-1
Poids moléculaire :
226.14
Numéro CE :
220-289-9
Numéro MDL:
MFCD00017016
Code UNSPSC :
41116107
ID de substance PubChem :
329770378
Nomenclature NACRES :
NA.24

Qualité

Standard for quantitative NMR
TraceCERT®

Niveau de qualité

300

Forme

powder

Durée de conservation

limited shelf life, expiry date on the label

Fabricant/nom de marque

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Technique(s)

qNMR: suitable

Pf

107-109 °C (lit.)

Application(s)

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

Chaîne SMILES 

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

Clé InChI

POGCCFLNFPIIGW-UHFFFAOYSA-N

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Description générale

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.

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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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Informations légales

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

Pictogrammes

Exclamation mark
GHS07

Mention d'avertissement

Warning

Mentions de danger

H302

Classification des risques

Acute Tox. 4 Oral

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

Not applicable

Point d'éclair (°C)

Not applicable

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Certificats d'analyse (COA)

Lot/Batch Number
BCCF2011
BCBW3152
BCBV0830
BCBS0792V
BCBN2770V

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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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