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Merck

121258

Sigma-Aldrich

3,5-Dinitrobenzoesäure

99%

Synonym(e):

DNBA

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€ 38,10
500 G
€ 107,00

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100 G
€ 38,10
500 G
€ 107,00

About This Item

Lineare Formel:
(O2N)2C6H3CO2H
CAS-Nummer:
Molekulargewicht:
212.12
Beilstein:
1914286
EG-Nummer:
MDL-Nummer:
UNSPSC-Code:
12352100
eCl@ss:
39032062
PubChem Substanz-ID:
NACRES:
NA.22

€ 38,10


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Qualitätsniveau

Assay

99%

Form

solid

mp (Schmelzpunkt)

204-206 °C (lit.)

Löslichkeit

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

Funktionelle Gruppe

carboxylic acid
nitro

SMILES String

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)

InChIKey

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

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Allgemeine Beschreibung

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].

Anwendung

Reagent used in the derivatization of resins[3] and the determination of ampicillin.[4]

Piktogramme

Exclamation mark

Signalwort

Warning

Gefahreneinstufungen

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

Zielorgane

Respiratory system

Lagerklassenschlüssel

11 - Combustible Solids

WGK

WGK 3

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable

Persönliche Schutzausrüstung

dust mask type N95 (US), Eyeshields, Gloves


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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)
Ishaat M Khan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 76(3-4), 315-321 (2010-05-04)
The interaction between p-phenylenediamine (PPD) as a donor with the pi acceptor 3,5-dinitrobenzoic acid (DNB) has been investigated spectrophotometrically in methanol at room temperature. CT complex formed as a result of transfer of lone pair of electrons and exhibits well

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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