Home Nitros 3,5-Dinitrobenzoic acid

3,5-Dinitrobenzoic acid

CAS No.:
99-34-3
Catalog Number:
AG003IPG
Molecular Formula:
C7H4N2O6
Molecular Weight:
212.1165
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$62
- +
500g
98%(HPLC)
In Stock USA
United States
$151
- +
Product Description
Catalog Number:
AG003IPG
Chemical Name:
3,5-Dinitrobenzoic acid
CAS Number:
99-34-3
Molecular Formula:
C7H4N2O6
Molecular Weight:
212.1165
MDL Number:
MFCD00007253
IUPAC Name:
3,5-dinitrobenzoic acid
InChI:
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
SMILES:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
202-751-1
UNII:
4V3F9Q018P
NSC Number:
8732
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.007g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.117g/mol
Monoisotopic Mass:
212.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
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Electronic nature of substituent X governs reaction mechanism in aminolysis of 4-pyridyl X-substituted-benzoates in acetonitrile. The Journal of organic chemistry 20120706
The spectroscopic (FT-Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO-LUMO analysis of monomeric and dimeric structures of 4-chloro-3,5-dinitrobenzoic acid. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120701
Dicyclo-hexyl-ammonium 3,5-dinitro-benzoate. Acta crystallographica. Section E, Structure reports online 20120701
2-Hy-droxy-anilinium 3,5-dinitro-benzoate. Acta crystallographica. Section E, Structure reports online 20120501
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A method for rapid screening of ketone biotransformations: detection of whole cell Baeyer-Villiger monooxygenase activity. Enzyme and microbial technology 20120210
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Effect of the leaving group and solvent combination on the LFER reaction constants. International journal of molecular sciences 20120101
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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)]. Acta crystallographica. Section E, Structure reports online 20110101
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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. Acta crystallographica. Section C, Crystal structure communications 20101201
Bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate. Acta crystallographica. Section E, Structure reports online 20101201
Aqua-(2,2'-bipyridine-κN,N')(3,5-dinitro-benzoato-κO)copper(II) tetra-hydro-furan monosolvate. Acta crystallographica. Section E, Structure reports online 20100901
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. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100801
4-Methyl-anilinium 3,5-dinitro-benzoate. Acta crystallographica. Section E, Structure reports online 20100701
Bis(3,5-dinitro-benzoato-κO)tetra-methano-lcobalt(II). Acta crystallographica. Section E, Structure reports online 20100401
4-(2-Hydroxy-ethyl)anilinium 3-carb-oxy-4-hydroxy-benzene-sulfonate monohydrate. Acta crystallographica. Section E, Structure reports online 20091201
Guanidinium quinoline-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20091201
2-Methyl-3,5-dinitro-benzoic acid. Acta crystallographica. Section E, Structure reports online 20091101
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. Acta crystallographica. Section C, Crystal structure communications 20091001
4-(2-Hydroxy-ethyl)anilinium 3,5-dinitro-benzoate. Acta crystallographica. Section E, Structure reports online 20090901
Selection of adequate optimization criteria in chromatographic separations. Analytical and bioanalytical chemistry 20090701
A 3,5-dinitro-benzoyl derivative of a stereoisomer of glycerol menthonide. Acta crystallographica. Section E, Structure reports online 20090701
3,3',5,5'-Tetra-nitro-biphen-yl. Acta crystallographica. Section E, Structure reports online 20090501
Mono-, di- and polynuclear copper(II) compounds derived from N-butyldiethanolamine: structural features, magnetism and catalytic activity for the mild peroxidative oxidation of cyclohexane. Dalton transactions (Cambridge, England : 2003) 20090328
Enhanced luminescence of novel rare earth complexes Eu(3,5-DNBA)3Phen in nano-TiO2. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090201
Poly[(3,5-dinitro-benzoato)-μ(3)-triazolato-cobalt(II)]. Acta crystallographica. Section E, Structure reports online 20090101
Proton-coupled electron transfer from a luminescent excited state. Chemical communications (Cambridge, England) 20080928
Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl-κN)picolinato-κN,O]manganese(II) bis-(3,5-dinitro-benzoic acid) solvate. Acta crystallographica. Section E, Structure reports online 20080701
New gastroprotective ferruginol derivatives with selective cytotoxicity against gastric cancer cells. Planta medica 20080601
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The resolution of five racemic alpha-lactams by HPLC. Chirality 20080201
2-Amino-4,6-dimethyl-pyrimidinium 3,5-dinitro-benzoate dihydrate. Acta crystallographica. Section E, Structure reports online 20080201
Establishment and characterization of dual-species biofilms formed from a 3,5-dinitrobenzoic-degrading strain and bacteria with high biofilm-forming capabilities. FEMS microbiology letters 20080101
Preparation and adsorption characteristic of polymeric microsphere with strong adsorbability for creatinine. Journal of biochemical and molecular toxicology 20080101
Light-emitting diode-compatible probes for indirect detection of anions in CE. Electrophoresis 20071001
Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation. International journal of nanomedicine 20070901
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Flow injection spectrophotometric determination of andrographolide from Andrographis paniculata. Talanta 20060615
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. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060601
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. Acta crystallographica. Section C, Crystal structure communications 20060101
Formation of stable Meisenheimer adduct ion pairs in apolar solvents: implications for stereoselective reactions. The Journal of organic chemistry 20050513
Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior. The journal of physical chemistry. B 20050324
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Determination of azide as the 3,5-dinitrobenzoyl derivative by capillary electrophoresis. Journal of chromatography. A 20040806
Proton-acceptor properties and capability for mutarotation of some glucosylamines in methanol. Carbohydrate research 20040601
Solvent-dependent coordination polymers: cobalt complexes of 3,5-dinitrobenzoic acid and 3,5-dinitro-4-methylbenzoic acid with 4,4'-bipyrdine. Inorganic chemistry 20040126
La3+-catalyzed methanolysis of N-aryl-beta-lactams and nitrocefin. Inorganic chemistry 20031229
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Enantiomeric separation of beta-blockers by HPLC using (R)-1-naphthylglycine and 3,5-dinitrobenzoic acid as chiral stationary phase. Journal of pharmaceutical and biomedical analysis 20030410
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Properties