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4-Chloro-3,5-dinitrobenzoic acid is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

118-97-8

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118-97-8 Usage

Chemical Properties

yellow crystals

Hazard

irritant

Synthesis

The synthesis of?4-Chloro-3,5-dinitrobenzoic acid is as follows:4-chloro-benzoic acid? (20 g, 0.128 mol) was dissolved in H2SO4 (d = 1.835 g/mL, 300 mL) at80 C, and KNO3 (66 g, 0.65 mol) was added. The reaction mixture was heated to 125 C using ahigh-pressure flask and kept for 2 h, after which the reaction was cooled to rt and poured onto ice.The yield of 4-Chloro-3,5-dinitrobenzoic acid?was 28 g (89%) .

Purification Methods

Crystallise the acid from EtOH/ H2O, EtOH or *C6H6. The 1:1 naphthalene complex (by fusing various ratios of ingredients and recrystallising from EtOH) has m 122o. [Beilstein 9 H 416, 9 III 1953, 9 IV 1360.]

Check Digit Verification of cas no

The CAS Registry Mumber 118-97-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 8 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 118-97:
(5*1)+(4*1)+(3*8)+(2*9)+(1*7)=58
58 % 10 = 8
So 118-97-8 is a valid CAS Registry Number.
InChI:InChI=1/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)/p-1

118-97-8 Well-known Company Product Price

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  • Alfa Aesar

  • (A12373)  4-Chloro-3,5-dinitrobenzoic acid, 99%   

  • 118-97-8

  • 25g

  • 554.0CNY

  • Detail
  • Alfa Aesar

  • (A12373)  4-Chloro-3,5-dinitrobenzoic acid, 99%   

  • 118-97-8

  • 100g

  • 1590.0CNY

  • Detail
  • Alfa Aesar

  • (A12373)  4-Chloro-3,5-dinitrobenzoic acid, 99%   

  • 118-97-8

  • 500g

  • 7332.0CNY

  • Detail

118-97-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Chloro-3,5-Dinitrobenzoic Acid

1.2 Other means of identification

Product number -
Other names Benzoic acid, 4-chloro-3,5-dinitro-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:118-97-8 SDS

118-97-8Related news

Hydroxyl radical initiated photodegradation of 4-Chloro-3,5-dinitrobenzoic acid (cas 118-97-8) in aqueous solution08/28/2019

The photodegradation of 4-chloro-3,5-dinitrobenzoic acid (CDNBA) in aqueous solution was investigated using advanced oxidation processes (AOP) involving hydroxyl radical production: (i) UV-C photolysis of H2O2 using low or medium pressure Hg arcs (UV/H2O2 process) and (ii) vacuum ultraviolet (VU...detailed

118-97-8Relevant academic research and scientific papers

Nitrocarbons. 3. Synthesis of Decanitrobiphenyl

Nielsen, Arnold T.,Norris, William P.,Atkins, Ronald L.,Vuono, William R.

, p. 1056 - 1059 (1983)

The synthesis of 4,4'-diamino-2,2',3,3',5,5',6,6'-octanitrobiphenyl and its peroxydisulfuric acid oxidation to decanitrobiphenyl are described.

Bio-derived CuO nanocatalyst for oxidation of aldehyde: A greener approach

Tamuly, Chandan,Saikia, Indranirekha,Hazarika, Moushumi,Das, Manash R.

, p. 20636 - 20640 (2014)

Eco-friendly synthesis of hierarchical CuO nanoparticles using the peel of Musa balbisiana and its application as a nanocatalyst in oxidation of aldehyde to the corresponding carboxylic acid is reported here. CuO nanoparticles were characterized by using XRD, XPS, SEM, TEM and PL techniques. In XRD analysis, significant peaks appeared at 18.2, 24.6, 33.3, 34.9, 35.5, 38.6 and 42.3. The SEM images indicate the formation of a micro flower hierarchical CuO architecture. The hierarchical CuO architecture is found to be made up of 2D nanosheets as building blocks, which were self assembled to form micro flower like assemblies. The synthesized CuO nanoparticles are efficiently utilised in the oxidation of aldehyde to the corresponding carboxylic acid in the presence of 30% H2O2 with high yields. The utilization of the CuO nanocatalyst in the oxidation reaction in environmental friendly conditions is the novelty in this study. This journal is the Partner Organisations 2014.

Synthesis and biological evaluation of 1,3-dideazapurine-like 7-amino-5-hydroxymethyl-benzimidazole ribonucleoside analogues as aminoacyl-tRNA synthetase inhibitors

Aerschot, Arthur Van,Gadakh, Bharat,Lescrinier, Eveline,Nautiyal, Manesh,Pang, Luping,Rozenski, Jef,Strelkov, Sergei V.,Weeks, Stephen D.,Zhang, Baole,de Graef, Steff

, (2020/10/27)

Aminoacyl-tRNA synthetases (aaRSs) have become viable targets for the development of antimicrobial agents due to their crucial role in protein translation. A series of six amino acids were coupled to the purine-like 7-amino-5-hydroxymethylbenzimidazole nucleoside analogue following an optimized synthetic pathway. These compounds were designed as aaRS inhibitors and can be considered as 1,3-dideazaadenine analogues carrying a 2-hydroxymethyl substituent. Despite our intentions to obtain N1-glycosylated 4-aminobenzimidazole congeners, resembling the natural purine nucleosides glycosylated at the N9-position, we obtained the N3-glycosylated benzimidazole derivatives as the major products, resembling the respective purine N7-glycosylated nucleosides. A series of X-ray crystal structures of class I and II aaRSs in complex with newly synthesized compounds revealed interesting interactions of these “base-flipped” analogues with their targets. While the exocyclic amine of the flipped base mimics the reciprocal interaction of the N3-purine atom of aminoacyl-sulfamoyl adenosine (aaSA) congeners, the hydroxymethyl substituent of the flipped base apparently loses part of the standard interactions of the adenine N1 and the N6-amine as seen with aaSA analogues. Upon the evaluation of the inhibitory potency of the newly obtained analogues, nanomolar inhibitory activities were noted for the leucine and isoleucine analogues targeting class I aaRS enzymes, while rather weak inhibitory activity against the corresponding class II aaRSs was observed. This class bias could be further explained by detailed structural analysis.

A novel method to synthesize stable nitrogen-rich polynitrobenzenes with π-stacking for high-energy-density energetic materials

Yang, Xiaoming,Lin, Xinyu,Yang, Li,Zhang, Tonglai

, p. 10296 - 10299 (2018/09/21)

Two nitrogen-rich energetic compounds with π-stacking, 1,1′-dichloro-2,2′,3,3′,6,6′-hexanitro-5,5′-dihydroxyazobenzene (1) and 8-(2,4,6-triazido-3,5-dinitrophenyl)-8H-[1,2,3]triazolo[4′,5′:5,6]benzo[1,2-c:3,4-c′]bis([1,2,5]oxadiazole) 1,4-dioxide (2), were prepared by a novel synthesis method, and their structures were determined by single-crystal X-ray diffraction analysis. The decomposition temperature of 1 is 336 °C and 2 exhibits excellent heat of formation of 1160.5 kJ mol?1 (2.21 kJ g?1). The condensation reaction of the coupling of a N═N bond and an azido from 1 to 2 was proved to be an efficient method to synthesize benzotriazole. This synthetic strategy for benzotriazole may arouse considerable interest in the area of organic synthesis.

A 1,4-bis (2,6-dinitro-4-carboxylic acid phenoxy) benzene synthetic method (by machine translation)

-

Paragraph 0008, (2016/10/10)

The invention discloses a 1,4? Double (2,6? Binitro? 4? Formic acid phenoxy) benzene synthetic method, belongs to the field of chemical synthesis. P-chlorotoluene through the process to be used for 3,5? Binitro? 4? Chlorobenzoic acid, adding butylhydroquione, and sodium carbonate additive under a certain temperature, the process through the backflow Auburn powder 1,4? Double (2,6? Binitro? 4? Formic acid phenoxy) benzene. (by machine translation)

Aromatic triazole foldamers induced by C-H...X (X = F, Cl) intramolecular hydrogen bonding

Shang, Jie,Gallagher, Nolan M.,Bie, Fusheng,Li, Qiaolian,Che, Yanke,Wang, Ying,Jiang, Hua

, p. 5134 - 5144 (2014/06/23)

Aryl-triazole oligomers based on isobutyl 4-fluorobenzoate and isobutyl 4-chlorobenzoate were designed and synthesized. Crystal structure and 1H-1H NOESY experiments demonstrate that the oligomers adopt stable helical conformation, which are induced by C5-H...X-C (X = F, Cl) intramolecular hydrogen bonding between triazole protons and halogen atoms. The stabilities of the folded conformations are confirmed by DFT calculations, which show that each C5-H...F-C planar interaction lowers the energy by ~3 kcal mol-1 on average, and by ~1 kcal mol-1 when C5-H...Cl-C bridges are formed. The hydrogen-bonding networks are disrupted in competitive hydrogen-bonding media such as DMSO, generating the unfolded oligomers.

Hydrogenation on palladium-containing granulated catalysts 3. Synthesis of aminobenzimidazoles by catalytic hydrogenation of dinitroanilines

Elkin,Tolkacheva,Chernysheva,Karmanova,Konyushkin,Semenov

, p. 1216 - 1226 (2008/09/19)

Efficient hydrogenation of o-aminonitrobenzenes on palladium-containing granulated carbon catalysts in carboxylic acid solutions was accompanied by cyclization into aminobenzimidazoles. A simple hydrogenation reactor with a fixed gauze holding a reusable granulated catalyst was designed. Acylated and sulfonylated 4(7)-aminobenzimidazoles were obtained. In terms of electronic and geometrical parameters, they are close analogs of biologically active imidazo[1,5,4-e,f ][1,5]benzodiazepines.

Anti-viral and anti-cancer agents

-

, (2008/06/13)

2-chloro-5-nitrobenzoic acid and various other chloro and nitro substitute benzoic acid derivatives are disclosed for administration in tablet or injectable solution form for the prophylaxis and therapy of neoplasm or viral infection. The active compounds have surprising efficacy in various treatment regimes and have particular application to HIV-infection and demonstrate various beneficial effects, including regression of lesions in HIV-related Kaposi's sarcoma.

Electrophilic Aromatic Substitution. Part 37. Products of Aromatic Nitrations of some Chloronitrobenzenes and Substituted Benzoic Acids in Solutions of Dinitrogen Pentaoxide and of Nitronium Salts in Nitric Acid

Moodie, Roy B.,Sanderson, Andrew J.,Willmer, Richard

, p. 645 - 650 (2007/10/02)

Yields of aromatic products of nitration in nitric acid solutions containing dinitrogen pentaoxide or nitronium salt have been determined.Evidence for the intrusion of a mechanism other than the normal nitronium ion one comes from comparison of products in the two media and from the observation of 15N NMR CIDPN effects.The additional mechanism operative with some substrates in concentrated solutions of dinitrogen pentaoxide is postulated to be one in which reversible addition of the NO3 radical is followed by combination with NO2.Dienes produced in this way can give aromatic nitroproducts by elimination of nitric acid.Nitrodecarboxylation of substituted benzoic acids occurs by a radical process.

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