2,4-Dinitrobenzoic acid - CAS 610-30-0

Catalog:	BB030907
Product Name:	2,4-Dinitrobenzoic acid
CAS:	610-30-0
Synonyms:	Benzoic acid, 2,4-dinitro-; 1-Carboxy-2,4-dinitrobenzene; NSC 243713

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,4-dinitrobenzoic acid
Molecular Weight:	212.12
Molecular Formula:	C7H4N2O6
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
InChI:	InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)
InChI Key:	ZIIGSRYPZWDGBT-UHFFFAOYSA-N
Boiling Point:	184-185°C
Melting Point:	182°C
Purity:	≥95%
Density:	1.688±0.06 g/cm3
Solubility:	Soluble in Dioxane
Appearance:	Pale yellow crystalline powder
Storage:	Store at RT
MDL:	MFCD00017006
LogP:	2.24760

Publication Number	Title	Priority Date
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
EP-3786143-A1	Process for preparing fluorobenzene derivatives and benzoic acid hypofluorite derivatives	20190827
WO-2020244754-A1	Method and sensor for detection of triacetone triperoxide (tatp), diacetone diperoxide (dadp), hexamethylene triperoxide diamine (hmtd) and hydrogen peroxide	20190605
CN-110079403-A	A kind of energy saving and environment friendly gunpowder residue cleaning agent	20190530
US-2020377446-A1	Method for manufacturing aromatic azo compound	20190530

PMID	Publication Date	Title	Journal
19827797	20091111	Characterization of a nitroreductase with selective nitroreduction properties in the food and intestinal lactic acid bacterium Lactobacillus plantarum WCFS1	Journal of agricultural and food chemistry
18355323	20081101	The NprA nitroreductase required for 2,4-dinitrophenol reduction in Rhodobacter capsulatus is a dihydropteridine reductase	Environmental microbiology
18774781	20081009	Temperature-dependent single-crystal neutron diffraction study of the strong OHN hydrogen bond in pyridinium 2,4-dinitrobenzoate	The journal of physical chemistry. A
16837005	20060922	Separation and determination of perfluorinated carboxylic acids using capillary zone electrophoresis with indirect photometric detection	Journal of chromatography. A
16180207	20060301	Genotoxicity of nitrosulfonic acids, nitrobenzoic acids, and nitrobenzylalcohols, pollutants commonly found in ground water near ammunition facilities	Environmental and molecular mutagenesis

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.00693585
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.00693585
Rotatable Bond Count:	1
Topological Polar Surface Area:	129 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3