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121258

Sigma-Aldrich

3,5-Dinitrobenzoic acid

99%

Sinónimos:

DNBA

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About This Item

Fórmula lineal:
(O2N)2C6H3CO2H
Número de CAS:
99-34-3
Peso molecular:
212.12
Beilstein/REAXYS Number:
1914286
EC Number:
202-751-1
MDL number:
MFCD00007253
UNSPSC Code:
12352100
eCl@ss:
39032062
PubChem Substance ID:
24847456
NACRES:
NA.22

assay

99%

form

solid

mp

204-206 °C (lit.)

solubility

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

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)

InChI key

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

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General description

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. It forms 1:1 cocrystal with analgesic drug, ethenzamide and exists in two polymorphic forms.

Application

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

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_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Analytical Letters, 26, 2397-2397 (1993)
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)
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)
Yuguang Lv et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 72(1), 22-25 (2008-12-09)
Eu(3+) (or Tb(3+)) of 3,5-dinitrobenzoic acid and 1,10-phenanthroline ternary rare earth complexes were synthesized and characterized by thermal analysis, infrared spectroscopy, elemental analysis and fluorescence spectroscopy. In this study an organic-inorganic combined device indium tin oxide/poly(N-vinylcar-bazole):RE(3,5-DNBA)(3)Phen:TiO(2)/Al was fabricated. The nano-TiO(2)
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