Skip to Content
Merck
CN

15639

3,5-Dinitrobenzoic acid

TraceCERT®

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
(O2N)2C6H3CO2H
CAS Number:
99-34-3
Molecular Weight:
212.12
EC Number:
202-751-1
UNSPSC Code:
41116107
PubChem Substance ID:
329750956
Beilstein/REAXYS Number:
1914286
MDL number:
MFCD00007253

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

InChI

1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)

InChI key

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

SMILES string

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

grade

certified reference material, TraceCERT®

description

qNMR Standard for DMSO-d6 (9.2 ppm)

shelf life

limited shelf life, expiry date on the label

technique(s)

gas chromatography (GC): suitable, qNMR: suitable ((standard)), qNMR: suitable

application(s)

environmental

format

neat

General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034 (ISO Guide 34). 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.

Other Notes

Check out ChemisTwin, our brand new online portal for identity confirmation of NMR spectra. A feature for quantitative NMR is in development. Learn more or reach out to us for a free trial.
Chemical Shift: 9.2 ppm (chemical shifts may slightly vary depending on the experimental conditions)
suitable NMR solvents: DMSO-d6

Legal Information

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

新产品
This item has

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

H N Bockbrader et al.
Journal of chromatography, 310(1), 85-95 (1984-09-14)
A high-performance liquid chromatographic method is described for the determination of digoxigenin, digoxigenin monodigitoxoside, digoxigenin bis-digitoxoside, digoxin, and dihydrodigoxin as the 3,5-dinitrobenzoyl esters. The method is applied to a 10 ml urine sample by adding digitoxigenin as internal standard, extracting
Masataka Ohashi et al.
Journal of chromatography. A, 1045(1-2), 247-252 (2004-09-24)
A simple, rapid and reliable capillary electrophoresis method with a photodiode array detector was developed for determination of azide as the 3,5-dinitrobenzoyl derivative in drink samples fortified with sodium azide. Sample preparation was simple and rapid because no more than
J Hall et al.
The Journal of biological chemistry, 262(23), 11046-11051 (1987-08-15)
In order to define the interaction domain on Rhodospirillum rubrum cytochrome c2 for the photosynthetic reaction center, positively charged lysine amino groups on cytochrome c2 were modified to form negatively charged carboxydinitrophenyl lysines. The reaction mixture was separated into six
Mengying Li et al.
FEMS microbiology letters, 278(1), 15-21 (2007-11-24)
In this study, the possibility of establishing a dual-species biofilm from a bacterium with a high biofilm-forming capability and a 3,5-dinitrobenzoic acid (3,5-DNBA)-degrading bacterium, Comamonas testosteroni A3, was investigated. Our results showed that the combinations of strain A3 with each
M Amalanathan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78(5), 1437-1444 (2011-02-19)
The FT-IR and Raman spectra of 3,5-dinitrobenzoic acid (DNBA) have been recorded and analyzed. The equilibrium geometry, various bonding and harmonic vibrational wavenumbers have been calculated with the help of density functional theory (DFT) method. Most of the vibrational modes
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service