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121258

Sigma-Aldrich

3,5-Dinitrobenzoic acid

99%

Synonyme(s) :

DNBA

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100 G
47,80 $
500 G
194,00 $

About This Item

Formule linéaire :
(O2N)2C6H3CO2H
Numéro CAS:
99-34-3
Poids moléculaire :
212.12
Beilstein:
1914286
Numéro CE :
202-751-1
Numéro MDL:
MFCD00007253
Code UNSPSC :
12352100
eCl@ss :
39032062
ID de substance PubChem :
24847456
Nomenclature NACRES :
NA.22

47,80 $

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Devis pour commande en gros

Essai

99%

Forme

solid

Pf

204-206 °C (lit.)

Solubilité

ethanol: soluble 0.5 g/10 mL, clear, yellow to very deep greenish-yellow

Groupe fonctionnel

carboxylic acid
nitro

Chaîne SMILES 

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

InChI

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

Clé InChI

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

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Catégories apparentées

Description générale

3,5-Dinitrobenzoic acid forms an adduct with 3,5-dimethylpyridine and the crystal structure of adduct has been studied at room temperature and 80K for both undeuterated and deuterated compounds[1]. It forms 1:1 cocrystal with analgesic drug, ethenzamide and exists in two polymorphic forms[2].

Application

3,5-Dinitrobenzoic acid was used in the derivatization of resins[3] and determination of ampicillin[4].

Pictogrammes

Exclamation mark
GHS07

Mention d'avertissement

Warning

Mentions de danger

H302,H315,H319,H335,H413

Classification des risques

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

Organes cibles

Respiratory system

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

Équipement de protection individuelle

dust mask type N95 (US), Eyeshields, Gloves

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Certificats d'analyse (COA)

Lot/Batch Number
WXBF4948V
WXBF4947V
WXBF4946V
WXBF4945V
WXBF3641V

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Analytical Letters, 26, 2397-2397 (1993)
Polymorphs and solvates of a cocrystal involving an analgesic drug, ethenzamide, and 3, 5-dinitrobenzoic acid.
Aitipamula S, et al.
Crystal Growth & Design, 10(5), 2229-2238 (2010)
A J Bourque et al.
Analytical chemistry, 65(21), 2983-2989 (1993-11-01)
The effect of cross-linking, surface area, and porous nature of modified polystyrene-divinylbenzene (STY-DVB) reagents has been investigated. The supports were prepared via two techniques and modified to contain various chemical functionalities. These reagents were used in an on-line reactor for
The quasi-symmetric OHN and ODN bridges in the adducts of 3, 5-dimethylpyridine with 3, 5-dinitrobenzoic acid.
Jerzykiewicz LB, et al.
Journal of Molecular Structure, 440(1), 175-185 (1998)
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
Afficher tous les articles scientifiques apparentés

Questions

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  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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