71176-55-1

Basic information

• Product Name: 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL
• Synonyms: 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL;5-NITRO-1,3-DIHYDROXYMETHYLBENZENE;5-nitro-m-xylene-α,α'-diol;5-Nitro-1,3-benzenedimethanol;3-(Hydroxymethyl)-5-nitrobenzyl alcohol;(5-Nitro-1,3-phenylene)diMethanol;1,3-BenzenediMethanol,5-nitro-;3-(Hydroxymethyl)-5-nitro-phenylmethanol
• CAS NO: 71176-55-1
• Molecular Formula: C₈H₉NO₄
• Molecular Weight: 183.16
• EINECS: 275-255-6
• Product Categories: Organic Building Blocks;Oxygen Compounds;Polyols
• Mol File: 71176-55-1.mol
• Article Data: 10

Chemical Properties

• Melting Point: 94-96 °C(lit.)
• Boiling Point: 421.9oC at 760 mmHg
• Flash Point: 191.3oC
• Appearance: /
• Density: 1.420
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 13.45±0.10(Predicted)
• CAS DataBase Reference: 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL(71176-55-1)
• EPA Substance Registry System: 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL(71176-55-1)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 71176-55-1(Hazardous Substances Data)

Usage

Description

5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL is an organic compound with the chemical formula C8H8N2O4. It is characterized by a nitro group attached to a m-xylene core, with two hydroxyl groups (-OH) attached to the alpha carbons. 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL is known for its potential applications in various fields, particularly in the development of chemical sensors.

Uses

Used in Chemical Sensor Applications:
5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL is used as a key component in the fabrication of chemical sensors designed for the detection of hazardous substances. Specifically, it has been utilized in the development of a sensor for the detection of 2,4,6-trinitrotoluene (TNT), a common explosive compound.
The sensor employs planar integrated optical waveguide attenuated total reflection (PIOW-ATR) spectrometry, a technique that allows for the sensitive and selective detection of target molecules. The incorporation of 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL in the sensor enhances its ability to interact with TNT molecules, enabling the sensor to accurately identify and quantify the presence of this explosive substance.
This application of 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL is particularly important in fields such as security, defense, and environmental monitoring, where the rapid and reliable detection of explosives is crucial for ensuring safety and preventing potential threats. By contributing to the development of advanced chemical sensors, 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL plays a significant role in these critical areas.

Upstream product

• 36308-36-8 5-nitrobenzene-1,3-dicarbaldehyde 
• 121-91-5 isophthalic acid 
• 108-38-3 m-xylene 
• 618-88-2 5-nitrobenzene-1,3-dicarboxylic acid 
• 13438-30-7 5-nitro-1,3-benzenedicarbonylchloride 

Downstream Products

• 262863-45-6 5-amino-m-xylylenebis(phosphonic acid) tetramethyl ester 
• 328550-05-6 1-aminobenzene-3,5-bis(methylphosphonic acid) 
• 1440004-80-7 tetraethyl 1-aminobenzene-3,5-bis(methylphosphonate) 
• 1440004-82-9 C₄₆H₅₈N₂O₁₆P₄ 
• 1440004-78-3 tetraethyl 5-nitrobenzene-1,3-bis(methylphosphonate) 
• 99-12-7 5-nitro-m-xylene 
• 2069250-63-9 (3-(chloromethyl)-5-nitrophenyl)methanol 

Relevant articles and documents

Semi-shelled melon ring C containing aniline structure33 H39 O3 N9 Synthesis method and synthesis method thereof

The invention discloses a semi-melon ring C containing an aniline structure. 33 H39 O3 N9 , The C33 H39 O3 N Chemistry name 35 , 75 , 115 - Triamino -1 , 5, 9 (1, 3) - triazoline generation -3 , 7, 11 (1, 3) - triphenyl cyclododecatriene -12 , 52 , 92 ; Trione. C33 H39 O3 N9 The synthesis method of 5 -nitrobenzene -1, 3 - diacid-AONS-3,5 - bis - (bromomethyl) nitrobenzene-AOE286928692X0AO_ 3,5 bis (- 1,3 - (bromomethyl) -5 - 3 - 3,5 - nitrobenzene 3 -2 -) imidazoli -2 -AOE286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869286928692869 5 . 5 , 75 , 115 - Trinitro -1 , 5, 9 (1, 3) - triazoline generation -3 , 7, 11 (1, 3) - triphenyl cyclododecatriene -12 , 52 , 92 - Triketone-AOE 286928692X0AO_ 35 , 75 , 115 - Triamino -1 , 5, 9 (1, 3) - triazoline generation -3 , 7, 11 (1, 3) - triphenyl cyclododecatriene -12 , 52 , 92 ; Trione. C33 H39 O3 N9 Can regard as Fe3 + A detector; and a detector. The utility model can also be used as a detector for nitrophenol substances. The synthesis method has the characteristics of simplicity, rapidness, easiness in operation, low cost and the like.

Exploring London Dispersion and Solvent Interactions at Alkyl–Alkyl Interfaces Using Azobenzene Switches

Interactions on the molecular level control structure as well as function. Especially interfaces between innocent alkyl groups are hardly studied although they are of great importance in larger systems. Herein, London dispersion in conjunction with solvent interactions between linear alkyl chains was examined with an azobenzene-based experimental setup. Alkyl chains in all meta positions of the azobenzene core were systematically elongated, and the change in rate for the thermally induced Z→E isomerization in n-decane was determined. The stability of the Z-isomer increased with longer chains and reached a maximum for n-butyl groups. Further elongation led to faster isomerization. The origin of the intramolecular interactions was elaborated by various techniques, including 1H NOESY NMR spectroscopy. The results indicate that there are additional long-range interactions between n-alkyl chains with the opposite phenyl core in the Z-state. These interactions are most likely dominated by attractive London dispersion. This work provides rare insight into the stabilizing contributions of highly flexible groups in an intra- as well as an intermolecular setting.

Liquid-Crystalline Star-Shaped Supergelator Exhibiting Aggregation-Induced Blue Light Emission

A family of closely related star-shaped stilbene-based molecules containing an amide linkage are synthesized, and their self-assembly in liquid-crystalline and gel states was investigated. The number and position of the peripheral alkyl tails were systematically varied to understand the structure-property relation. Interestingly, one of the molecules with seven peripheral chains was bimesomorphic, exhibiting columnar hexagonal and columnar rectangular phases, whereas the rest of them stabilized the room-temperature columnar hexagonal phase. The self-assembly of these molecules in liquid-crystalline and organogel states is extremely sensitive to the position and number of alkoxy tails in the periphery. Two of the compounds with six and seven peripheral tails exhibited supergelation behavior in long-chain hydrocarbon solvents. One of these compounds with seven alkyl chains was investigated further, and it has shown higher stability and moldability in the gel state. The xerogel of the same compound was characterized with the help of extensive microscopic and X-ray diffraction studies. The nanofibers in the xerogel are found to consist of molecules arranged in a lamellar fashion. Furthermore, this compound shows very weak emission in solution but an aggregation-induced emission property in the gel state. Considering the dearth of solid-state blue-light-emitting organic materials, this molecular design is promising where the self-assembly and emission in the aggregated state can be preserved. The nonsymmetric design lowers the phase-transition temperatures.The presence of an amide bond helps to stabilize columnar packing over a long range because of its polarity and intermolecular hydrogen bonding in addition to promoting organogelation.