616-72-8

Basic information

• Product Name: 4,6-DINITRO-1,3-XYLENE
• Synonyms: 4,6-dinitro-m-xylen;4,6-Dinitro-m-xylene;Benzene, 1,5-dimethyl-2,4-dinitro-;m-Xylene, 4,6-dinitro-;RARECHEM AQ BD 0018;2,4-DIMETHYL-1,5-DINITROBENZENE;1,5-DIMETHYL-2,4-DINITROBENZENE;4,6-DINITRO-1,3-XYLENE
• CAS NO: 616-72-8
• Molecular Formula: C8H8N2O4
• Molecular Weight: 196.16
• EINECS: 210-488-9
• Product Categories: pharmacetical
• Mol File: 616-72-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 93-94 °C
• Boiling Point: 321.8°C at 760 mmHg
• Flash Point: 156°C
• Appearance: /
• Density: 1.346g/cm³
• Vapor Pressure: 0.000549mmHg at 25°C
• Refractive Index: 1.587
• CAS DataBase Reference: 4,6-DINITRO-1,3-XYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,6-DINITRO-1,3-XYLENE(616-72-8)
• EPA Substance Registry System: 4,6-DINITRO-1,3-XYLENE(616-72-8)

Safety Data

• Hazardous Substances Data: 616-72-8(Hazardous Substances Data)

Usage

General Description

4,6-DINITRO-1,3-XYLENE is a chemical compound that belongs to the group of nitro aromatic hydrocarbons. It is commonly used as an intermediate in the production of dyes, pigments, and other chemicals. The compound is highly flammable and may pose a serious risk of combustion if exposed to heat or flames. It is also toxic if inhaled or ingested, and can cause irritation to the skin and eyes upon contact. Additionally, 4,6-DINITRO-1,3-XYLENE is considered to be environmentally hazardous, with potential long-term effects on aquatic organisms and ecosystems. Therefore, proper handling and storage of this chemical are necessary to prevent adverse health and environmental effects.

InChI:InChI=1/C8H8N2O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3

Upstream product

• 108-38-3 m-xylene 
• 7697-37-2 nitric acid 
• 7664-93-9 sulfuric acid 
• 632-92-8 2,4-dimethyl-1,3,5-trinitrobenzene 
• 89-87-2 2,4-dimethylnitrobenzene 
• 51676-74-5 1-chloro-5-methyl-2,4-dinitrobenzene 
• 121-73-3 3-Nitrochlorobenzene 
• 541-73-1 1,3-Dichlorobenzene 
• 64-17-5 ethanol 
• 681463-69-4 (4,6-dinitro-m-phenylene)-di-acetic acid diethyl ester 
• 3698-83-7 2,4-dichloro-1,5-dinitrobenzene 
• 861544-73-2 (5-methyl-2,4-dinitro-phenyl)-malonic acid diethyl ester 
• 855242-38-5 (4,6-dinitro-m-phenylene)-di-acetic acid 
• 73129-58-5 (5-methyl-2,4-dinitro-phenyl)-acetic acid 

Downstream Products

• 632-92-8 2,4-dimethyl-1,3,5-trinitrobenzene 
• 2124-47-2 5-nitro-2,4-dimethylaniline 
• 1872-40-8 4,6-dinitrobenzene-1,3-dioic acid 
• 1723-15-5 5-methyl-2,4-dinitrobenzoic acid 
• 3134-10-9 4,6-dimethyl-1,3-benzenediamine 
• 857797-11-6 N-(2,4-dimethyl-5-nitro-phenyl)-hydroxylamine 
• 2913-87-3 4,5'-Dimethyl-2',3,4'-trinitro-trans-stilben 
• 2571-40-6 4-Dimethylamino-5'-methyl-2',3,4'-trinitro-trans-stilben 
• 2571-49-5 1,5-Bis-<4-dimethylamino-3-nitro-trans-styryl>-2,4-dinitro-benzol 
• 2571-45-1 4',5-Dimethyl-2,4-dinitro-trans-stilben 
• 27520-70-3 C₂₄H₂₀N₂O₈ 
• 27520-66-7 1,5-Bis-[(E)-2-(2-methoxy-phenyl)-vinyl]-2,4-dinitro-benzene 
• 19399-66-7 4,6-Dinitro-1,3-bis-(m-methyl-styryl)-benzol 
• 2571-50-8 5-Methyl-2,2',4-trinitro-trans-stilben 

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.

Design and synthesis of urea-linked aromatic oligomers-a route towards convoluted foldamers

Herein we report the design and synthesis of crescent-shaped and helical urea-based foldamers, the curvature of which is controlled by varying the constituent building blocks and their connectivity. These oligomers are comprised of two, three or five alternating aromatic heterocycles (pyridazine, pyrimidine or pyrazine) and methyl-substituted aromatic carbocycles (tolyl, o-xylyl or m-xylyl) connected together through urea linkages. A crescent-shaped conformational preference is encoded within these π-conjugated urea-linked oligomers based on intramolecular hydrogen bonding and steric interactions; the degree of curvature is tuned by the urea connectivity to the heterocycles and the aryl groups. NMR characterization of these foldamers confirms the intramolecular hydrogen-bonded conformation expected (Z,E configuration of the urea bond) in both the pyridazyl and pyrimidyl foldamers in solution. An X-ray crystal structure of the N3,N6-diisobutylpyridazine-4,6- diamine-o-tolyl urea-linked foldamer (4) confirms the presence of N-H...N hydrogen bonds between the heterocyclic nitrogen atom and the free hydrogen of the urea linkage. Additionally, the tolyl methyl group interacts unfavourably with the urea carbonyl oxygen, thus destabilising the alternate planar conformation.

Overcoming regioselectivity issues inherent in bis-Troeger's base preparation

(Figure Presented) Bis-Troeger's base derivatives are a new family of molecular tweezers. A major drawback to their study is a lack of commercially available precursors, ortho-nitrocarboxylic acids. A reverse synthetic strategy starting from known dinitrodicarboxylic acids, which circumvents this problem, is presented. Via this methodology regioisomeric bis-TB derivatives can be prepared selectively, using only common aromatic amines that are typically commercially available.