Methyl 3,5-dinitrobenzoate

SIAL/94681 - Standard for quantitative NMR, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym: 3,5-Dinitrobenzoic acid methyl ester; NSC 7317

CAS Number: 2702-58-1
Empirical Formula (Hill Notation): C₈H₆N₂O₆
Molecular Weight: 226.14
EC Number: 220-289-9
MDL Number: MFCD00017016
Linear Formula: (O₂N)₂C₆H₃CO₂CH₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-94681-1G	1 g	$181.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

application(s)	cleaning products cosmetics flavors and fragrances food and beverages personal care pharmaceutical
form	powder
grade	TraceCERT^®
	Standard for quantitative NMR
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
manufacturer/tradename	Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
mp	107-109 °C (lit.)
Quality Level	300
shelf life	limited shelf life, expiry date on the label
SMILES string	COC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
technique(s)	qNMR: suitable

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 ).
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)
Legal Information:	TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany
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 .

Symbol	GHS07
Signal word	Warning
Hazard statements	H302
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

mp	107-109 °C (lit.)
UNSPSC	41116107

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