3,5-DINITROBENZOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4N2O6
Molecular Weight	212.1165
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=VYWYYJYRVSBHJQ-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C7H4N2O6
Molecular Weight	212.1165
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
catena-Poly[[[diaqua-cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κO,O:O-[tetra-aqua-cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κO:O,O] dihydrate].	2010-12-24	21522530
Bis(μ-3,5-dinitro-benzoato-κO:O)bis-(μ-3,5-dinitro-benzoato)-κO,O:O;κO:O,O-bis-[(3,5-dinitro-benzoato-κO,O)(1,10-phenanthroline-κN,N)dysprosium(III)].	2010-12-18	21522517
Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid.	2010-12	21123896
Bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate.	2010-11-13	21589457
Aqua-(2,2'-bipyridine-κN,N')(3,5-dinitro-benzoato-κO)copper(II) tetra-hydro-furan monosolvate.	2010-08-04	21588481
Synthesis, spectrophotometric, structural and thermal studies of the charge transfer complex of p-phenylenediamine, as an electron donor with pi acceptor 3,5-dinitrobenzoic acid.	2010-08	20435511
4-Methyl-anilinium 3,5-dinitro-benzoate.	2010-06-05	21587815
Bis(3,5-dinitro-benzoato-κO)tetra-methano-lcobalt(II).	2010-03-06	21580479
Guanidinium quinoline-2-carboxyl-ate.	2009-11-25	21578928
4-(2-Hydroxy-ethyl)anilinium 3-carb-oxy-4-hydroxy-benzene-sulfonate monohydrate.	2009-11-25	21578917
2-Methyl-3,5-dinitro-benzoic acid.	2009-10-23	21578410
Proton transfer versus nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid.	2009-10	19805891
4-(2-Hydroxy-ethyl)anilinium 3,5-dinitro-benzoate.	2009-08-08	21577524
Selection of adequate optimization criteria in chromatographic separations.	2009-07	19296092
A 3,5-dinitro-benzoyl derivative of a stereoisomer of glycerol menthonide.	2009-06-10	21582828
3,3',5,5'-Tetra-nitro-biphen-yl.	2009-04-18	21583870
Mono-, di- and polynuclear copper(II) compounds derived from N-butyldiethanolamine: structural features, magnetism and catalytic activity for the mild peroxidative oxidation of cyclohexane.	2009-03-28	19274289
Enhanced luminescence of novel rare earth complexes Eu(3,5-DNBA)3Phen in nano-TiO2.	2009-02	19062332
Poly[(3,5-dinitro-benzoato)-μ(3)-triazolato-cobalt(II)].	2008-12-13	21581518
Proton-coupled electron transfer from a luminescent excited state.	2008-09-28	18802539
Preparation and adsorption characteristic of polymeric microsphere with strong adsorbability for creatinine.	2008-06-19	18561332
Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl-κN)picolinato-κN,O]manganese(II) bis-(3,5-dinitro-benzoic acid) solvate.	2008-06-07	21202753
New gastroprotective ferruginol derivatives with selective cytotoxicity against gastric cancer cells.	2008-06	18496784
catena-Poly[[nickel(II)-μ-1,3-dimethyl-2,6-dioxo-7H-purinato-κN:N] hydroxide].	2008-03-29	21202028
The resolution of five racemic alpha-lactams by HPLC.	2008-02	18058862
2-Amino-4,6-dimethyl-pyrimidinium 3,5-dinitro-benzoate dihydrate.	2008-01-11	21201453
Establishment and characterization of dual-species biofilms formed from a 3,5-dinitrobenzoic-degrading strain and bacteria with high biofilm-forming capabilities.	2008-01	18034834
Light-emitting diode-compatible probes for indirect detection of anions in CE.	2007-10	17806125
Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation.	2007	18019843
Stereochemical course in water addition during LUP1-catalyzed triterpene cyclization.	2006-11-23	17107079
Flow injection spectrophotometric determination of andrographolide from Andrographis paniculata.	2006-06-15	18970655
Electronic, infrared, and 1HNMR spectral studies of the novel charge-transfer complexes of o-tolidine and p-toluidine with alternation pi-acceptors (3,5-dinitro benzoic acid and 2,6-dichloroquinone-4-chloroimide) in CHCl3 solvent.	2006-06	16387536
Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K.	2006-01	16397336
Formation of stable Meisenheimer adduct ion pairs in apolar solvents: implications for stereoselective reactions.	2005-05-13	15876099
Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior.	2005-03-24	16863194
Separation of perfluorocarboxylic acids using capillary electrophoresis with UV detection.	2005-03	15765482
Synthesis and characterization of fluorescent poly(aromatic amide) dendrimers.	2005-01-07	15624907
Proton-acceptor properties and capability for mutarotation of some glucosylamines in methanol.	2004-06-01	15178385
Solvent-dependent coordination polymers: cobalt complexes of 3,5-dinitrobenzoic acid and 3,5-dinitro-4-methylbenzoic acid with 4,4'-bipyrdine.	2004-01-26	14731007
La3+-catalyzed methanolysis of N-aryl-beta-lactams and nitrocefin.	2003-12-29	14686838
Kinetic and thermodynamic barriers to carbon and oxygen alkylation of phenol and phenoxide ion by the 1-(4-methoxyphenyl)ethyl carbocation.	2003-12-17	14664591
Determination of the artificial sweetener Sucralose by capillary electrophoresis.	2003-06	12881124
[Synthesis of a novel starch derivative and its adsorption property for creatinine].	2003-03	12830714
Preferred sites on cytochrome c for electron transfer with two positively charged blue copper proteins, Anabaena variabilis plastocyanin and stellacyanin.	1986-11-04	3026438
Region of cytochrome c interacting with yeast cytochrome b2: determination with singly modified carboxydinitrophenyl cytochromes c.	1986-09	3023311
Immediate hypersensitivity to drugs and simple chemicals: the efficacy of monovalent elicitors.	1985-02	2578965
Penicillin derivatives are true monovalent elicitors of anaphylactic reactions.	1984-05	6715020
Interaction of cytochrome c with the blue copper proteins, plastocyanin and azurin.	1983-05-25	6304038
Preferred sites for electron transfer between cytochrome c and iron and cobalt complexes.	1983-05-25	6304037
Definition of cytochrome c binding domains by chemical modification. II. Identification and properties of singly substituted carboxydinitrophenyl cytochromes c at lysines 8, 13, 22, 27, 39, 60, 72, 87, and 99.	1978-01-10	201615

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:20:38 GMT 2025` Edited by `admin` on `Mon Mar 31 21:20:38 GMT 2025`
Record UNII	4V3F9Q018P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-DINITROBENZOIC ACID

Systematic Name

English

NSC-8732

Preferred Name

English

DNBA

Common Name

English

3-CARBOXY-1,5-DINITROBENZENE

Systematic Name

English

BENZOIC ACID, 3,5-DINITRO-

Common Name

English

3,5-DINITROBENZOIC ACID [MI]

Common Name

English

Code System Code Type Description

CAS

99-34-3