121258
3,5-Dinitrobenzoic acid
99%
Synonym(s):
DNBA
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About This Item
Linear Formula:
(O2N)2C6H3CO2H
CAS Number:
Molecular Weight:
212.12
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39032062
UNSPSC Code:
12352100
EC Number:
202-751-1
MDL number:
Beilstein/REAXYS Number:
1914286
Assay:
99%
Form:
solid
Quality Level
assay
99%
form
solid
mp
204-206 °C (lit.)
solubility
ethanol: soluble 0.5 g/10 mL, clear, yellow to very deep greenish-yellow
functional group
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)
InChI key
VYWYYJYRVSBHJQ-UHFFFAOYSA-N
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.
signalword
Warning
hcodes
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
ppe
dust mask type N95 (US), Eyeshields, Gloves
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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 121258-100G | 04061838717894 |
| 121258-500G | 04061838483416 |