616-74-0

Basic information

• Product Name: 4,6-DINITRORESORCINOL
• Synonyms: 1,3-Benzenediol, 4,6-dinitro-;1,3-DIHYDROXY-4,6-DINITROBENZENE;4,6-DINITRORESORCINOL;4,6-Dinitroresocinol;4,6-DINITRORESORCINOL (WETTED WITH CA. 20% WATER, CONTAINING 5G ON A DRY WEIGHT BASIS;4,6-DINITRORESORCINOL (WETTED WITH CA. 20% WATER, CONTAINING 5G ON A DRY WEIGHT BASIS) 95+%;4,6-Dinitro-1,3-benzenediol;4,6-dinitrobenzene-1,3-diol
• CAS NO: 616-74-0
• Molecular Formula: C6H4N2O6
• Molecular Weight: 200.11
• EINECS: 210-489-4
• Product Categories: Fluorenes, etc. (reagent for high-performance polymer research);Functional Materials;Reagent for High-Performance Polymer Research
• Mol File: 616-74-0.mol
• Article Data: 21

Chemical Properties

• Melting Point: 215°C
• Boiling Point: 337.8°C (rough estimate)
• Flash Point: 186 ºC
• Appearance: /
• Density: 1.7942 (rough estimate)
• Vapor Pressure: 3.99E-07mmHg at 25°C
• Refractive Index: 1.4738 (estimate)
• Solubility: soluble in Dimethylformamide
• PKA: 3.95±0.24(Predicted)
• Water Solubility: 399.8mg/L(77 oC)
• CAS DataBase Reference: 4,6-DINITRORESORCINOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4,6-DINITRORESORCINOL(616-74-0)
• EPA Substance Registry System: 4,6-DINITRORESORCINOL(616-74-0)

Safety Data

• Statements: 20/21/22
• Safety Statements: 22-36/37/39
• RIDADR: 1322
• HazardClass: 1.1D
• PackingGroup: II
• Hazardous Substances Data: 616-74-0(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 53, p. 5568, 1988 DOI: 10.1021/jo00258a039

InChI:InChI=1/C6H4N2O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H

Upstream product

• 3698-83-7 2,4-dichloro-1,5-dinitrobenzene 
• 51652-35-8 5-methoxy-2,4-dinitrophenol 
• 3397-76-0 N,N-Dimethylformamide Hydrochloride 
• 7697-37-2 nitric acid 
• 108-38-3 m-xylene 
• 7664-93-9 sulfuric acid 
• 541-73-1 1,3-Dichlorobenzene 
• 681463-69-4 (4,6-dinitro-m-phenylene)-di-acetic acid diethyl ester 
• 89-87-2 2,4-dimethylnitrobenzene 
• 632-92-8 2,4-dimethyl-1,3,5-trinitrobenzene 
• 855242-38-5 (4,6-dinitro-m-phenylene)-di-acetic acid 
• 73129-58-5 (5-methyl-2,4-dinitro-phenyl)-acetic acid 
• 64-17-5 ethanol 
• 446-35-5 2,4-Difluoronitrobenzene 

Downstream Products

• 82-71-3 styphnic acid 
• 15791-87-4 4,6-diamino-1,3-benzenediol 
• 28999-65-7 N,N'-(4,6-dihydroxy-m-phenylene)-bis-acetamide 
• 484653-22-7 2-bromo-4,6-dinitro-resorcinol 
• 861549-57-7 acetic acid-(2,4-dihydroxy-5-nitro-anilide) 
• 116920-31-1 1,3-dihydroxy-2-chloro-4,6-dinitrobenzene 
• 16523-31-2 4,6-diaminoresorcin dihydrochloride 
• 883566-55-0 4-amino-6-nitroresorcinol hydrochloride 
• 28999-67-9 2,6-diphenylbenzo[1,2-d:5,4-d′]bisoxazole 
• 3698-83-7 2,4-dichloro-1,5-dinitrobenzene 
• 412914-87-5 2-chloro-4,6-diaminoresorcinol 
• 678148-37-3 1,3-diacetoxy-4,6-dinitrobenzene 

Relevant articles and documents

Nitration of deactivated aromatic compounds via mechanochemical reaction

A variety of deactivated arenes were nitrated to their corresponding nitro derivatives in excellent yields under high-speed ball milling condition using Fe(NO3)3·9H2O/P2O5 as nitrating reagent. A radical involved mechanism was proposed for this facial, eco-friendly, safe, and effective nitration reaction.

A 4, 6 - dinitro resorcinol preparation method

The present invention provides a 4, 6 - dinitro resorcinol preparation method, comprising: under the action of a catalyst, the reaction raw material in the water to perform hydrolysis reaction, thereby obtaining a reaction product; the reaction product of extraction, the organic solution; to the organic solution to the nitration reaction, to obtain the 4, 6 - dinitroresorcinol resorcinol. This invention uses the methylacetylene comprising diflufenican in the synthesis of by-product as the raw material, by-product effective resource, high yield high-quality synthesis of 4, 6 - dinitroresorcinol resorcinol. The method of the invention the synthesis step is simple, easy to operate, potential safety hazards are reduced; not only can be valuable, but the synthetic route is simple easy to implement very high industrial value.

4 - [6 - (methylthio) benzo [1,2-d:5,4-d '] b [1,3] oxazole-2-yl] benzoic acid and its preparation method

The invention discloses 4-[6-(methylthio) benzo [1, 2-d: 5, 4-d']-di-[1, 3] oxaxole-2-yl] benzoic acid and a preparation method thereof. The preparation method comprises the steps as follows: resorcinol is taken as a raw material and subjected to sulfonation, nitration, hydrolysis and reduction to obtain 4-amino-6-nitroresorcinol hydrochloride; ANR*HCl and p-methoxycarbonyl benzoyl chloride (MBC) are subjected to condensation, cyclization and dehydration to obtain 4-(6-hydroxy-5-nitrobenzo[d]oxazole-2-yl) methyl benzoate; NHABE is subjected to hydrogenation reduction under the action of a Pd/C catalyst to obtain 4-(6-hydroxy-5-aminobenzo[d]oxazole-2-yl) methyl benzoate; AHABE and CS2 are subjected to cyclization under the alkaline condition to obtain 4-(6-(mercapto)benzo[1, 2-d:5, 4-d']-di-(oxazole)-2-yl) benzoic acid; and dimethyl methyl sulfate is compounded to the target compound 4-[6-(methylthio) benzo [1, 2-d: 5, 4-d']-di-[1, 3] oxaxole-2-yl] benzoic acid. According to the invention, a novel compound is obtained, the method is simple and convenient, and the product yield is high.