94681

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
• 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

Properties

• 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

Description

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).

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

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable