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4-N-HEXYLOXYNITROBENZENE, with the chemical formula C12H17NO3, is a nitrobenzene derivative featuring a hexyloxy group attached to the fourth carbon of the benzene ring. This organic compound is characterized by its yellow to orange crystalline solid form and a distinctive odor. It is recognized for its applications in various industries, yet it is also classified as a hazardous chemical that necessitates careful handling due to its potential health and environmental risks.

15440-98-9

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15440-98-9 Usage

Uses

Used in Liquid Crystal Production:
4-N-HEXYLOXYNITROBENZENE is utilized as a key component in the production of liquid crystals, which are essential for the functioning of various electronic displays, such as those found in televisions, computer monitors, and digital watches. Its unique molecular structure contributes to the formation of liquid crystal phases.
Used in Liquid Crystalline Polymers Preparation:
4-N-HEXYLOXYNITROBENZENE also serves as a crucial ingredient in the preparation of liquid crystalline polymers, which are known for their high strength, rigidity, and thermal stability. These polymers are used in the manufacturing of high-performance materials for applications in aerospace, automotive, and electronics industries.
Used as a Fragrance Ingredient:
4-N-HEXYLOXYNITROBENZENE is employed as a fragrance ingredient in the perfumery and cosmetics industry, where its distinctive odor is valued for creating unique scents in various products.
Used in Organic Synthesis:
Furthermore, 4-N-HEXYLOXYNITROBENZENE is utilized in the synthesis of other organic compounds, contributing to the development of new chemical entities for pharmaceutical, agrochemical, and other specialty chemical applications.
Used in Chemical Research:
In the field of chemical research, 4-N-HEXYLOXYNITROBENZENE is used as a model compound to study the properties and behavior of nitrobenzene derivatives, which can provide insights into the development of new materials and chemical processes.
Used in Environmental and Health Risk Assessment:
Given its classification as a hazardous chemical, 4-N-HEXYLOXYNITROBENZENE is also used in environmental and health risk assessments to understand its potential impacts and to develop strategies for safe handling, storage, and disposal.

Check Digit Verification of cas no

The CAS Registry Mumber 15440-98-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,5,4,4 and 0 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 15440-98:
(7*1)+(6*5)+(5*4)+(4*4)+(3*0)+(2*9)+(1*8)=99
99 % 10 = 9
So 15440-98-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H17NO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3

15440-98-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Hexyloxy-4-nitrobenzene

1.2 Other means of identification

Product number -
Other names 1-hexoxy-4-nitrobenzene

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:15440-98-9 SDS

15440-98-9Relevant articles and documents

Structurally simple trimesic amides as highly selective anion channels

Yuan, Lin,Shen, Jie,Ye, Ruijuan,Chen, Feng,Zeng, Huaqiang

, p. 4797 - 4800 (2019)

Trimesic amide molecules, which contain simple alkyl chains in their periphery, exhibit interesting anion-transport functions. The most active and highly selective channel TA12 efficiently transports ClO4? anions across membranes, with other anions conducted in the order of I? > NO3? > Br? > Cl?.

PHOTORESPONSIVE COMPOUND, AND ADHESIVE, TONER AND IMAGE FORMATION METHOD USING THE SAME

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Paragraph 0214-0216, (2021/05/07)

PROBLEM TO BE SOLVED: To provide a compound that is fluidized by light irradiation and is un-fluidized reversibly, and shows no excessive coloration. SOLUTION: The present invention relates to a compound of chemical formula 1a or 1b: R1 and r1 each denote a hydrogen atom, a halogen atom or the like; R2-R7 and r2-r7 each denote a group represented by chemical formula 2, a hydrogen atom, a halogen atom or the like, where at least one of R2-R7 and r2-r7 is a group represented by chemical formula 2; in chemical formula 2, X1 and X2 each denote N or CH, and X1≠X2; A1-A5 each denote a hydrogen atom, a halogen atom or the like, where at least one of A1-A5 is an alkyl group, an alkoxy group, an acyl group, an alkoxycarbonyl group, or an acyloxy group. SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

PHOTORESPONSIVE LOW-MOLECULAR WEIGHT MATERIAL, ADHESIVE, TONER, AND IMAGE FORMING METHOD

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Paragraph 0383-0384, (2020/08/30)

Disclosed is a compound containing a specific structure having an azomethine part, the compound being reversibly fluidized and non-fluidized by being irradiated with light.

Discovery of Diphenoxy Derivatives with Flexible Linkers as Ligands for β-Amyloid Plaques

Jia, Jianhua,Zhang, Longfei,Song, Jia,Dai, Jiapei,Cui, Mengchao

, p. 4089 - 4100 (2020/12/13)

The highly rigid and planar scaffolds with π-conjugated systems have been widely considered to be indispensable for β-amyloid (Aβ) binding ligands. In this study, a library of diphenoxy compounds with different types of more flexible linkers as Aβ ligands were synthesized and evaluated. Most of them displayed good affinity (Ki1-42aggregates, and some ligands even showed values of Kiless than 10 nM. Structure-activity relationship analysis revealed that modification on the linkers or substituents tolerated great flexibility, which challenged the long-held belief that rigid and planar structures are exclusively favored for Aβ binding. Three ligands were labeled by iodine-125, and they exhibited good properties in vitro and in vivo, which further supported that this flexible scaffold was potential and promising for the development of Aβ imaging agents.

Luminescent mesogenic borondifluoride complexes with the Schiff bases containing salicylideneamines and β-enaminoketones core systems

Lei, Zih-Yang,Lee, Gene-Hsiang,Lai, Chung K.

, p. 44 - 56 (2018/04/02)

Three new families of borondifluoride complexes 1a–c derived from salicylideneamines 2a and β-enaminoketonates 2b–c were reported, and their mesomorphic and optical properties were also investigated. One single crystal and molecular structure of nonmesogenic BF2 complex 1c (n = 10) was resolved and the geometry of the central boron atom was tetrahedron. A larger dihedral angle of 81.3° between the two phenyl rings observed in crystal lattice was attributed to the lack of liquid crystallinity. Boron complexes 1a formed monotropic SmA phases, while boron complexes 1b exhibited enantiotropic SmC mesophases. The optical property of the boron complexes was dependent on their molecular structures, and they emitted a blue–to–green emission at λmax = 476–541 nm in the solution and 488–550 nm in the solid state. This is the first group of mesogenic BF2 complexes with the Schiff bases derived from respective salicylideneamines and β-enaminoketones.

Magnetic Nanoparticle Anchored Deep Eutectic Solvents as a Catalyst for the Etherification and Amination of Naphthols

Zamani, Parisa,Ozdemir, John,Ha, Yumi,Benamara, Mourad,Kuchuk, Adrian V.,Wang, Tengjiao,Chen, Jingyi,Khosropour, Ahmad R.,Beyzavi, M. Hassan

supporting information, p. 4372 - 4380 (2018/10/15)

Herein, we introduce a reusable catalyst consisting of a deep eutectic solvent made up of choline chloride and p-toluene sulfonic acid (pTSA) covalently immobilized on magnetic nanoparticles (MNPs) as an agent for chemoselective direct ipso etherification and amination of naphthols. The bonding of the DES to the surface of the nanoparticles has increased the catalytic activity of the DES and also has simplified catalyst recovery from the reaction mixture. The MNP bound DES particles with an average size of 12±2 nm was characterized by FTIR, PXRD, HRTM, TGA, and VSM. For 16 tested etherification reactions, the functionalized magnetite nanoparticle catalyst gave an average yield of 84%; for 5 tested aminations the average yield was 77%. For all 23 tested reactions the yield was above 70% and pTSA Br?nsted acid loading was only 0.45 mol%. The catalytic performance could be attributed to the dispersion of the nanoparticles, strong DES-support interactions and interactions of the hydrogen donor species with naphthols. This work is the first catalytic examination of PDES covalently bonded on MNPs as a platform for organic transformations. (Figure presented.).

Chromogenic nitrophenolate-based substrates for light-driven hybrid P450 BM3 enzyme assay

Lam, Quan,Cortez, Alejandro,Nguyen, Thanh Truc,Kato, Mallory,Cheruzel, Lionel

, p. 86 - 91 (2016/06/08)

The incorporation of a p-nitrophenoxy moiety in substrates has enabled the development of colorimetric assays to rapidly screen for O-demethylation activity of P450 enzymes. For the light-driven hybrid P450 BM3 enzymes, where a Ru(II) photosensitizer powers the enzyme upon visible light irradiation, we have investigated a family of p-nitrophenoxy derivatives as useful chromogenic substrates compatible with the light-driven approach. The validation of this assay and its adaptability to a 96-well plate format will enable the screening of the next generation of hybrid P450 BM3 enzymes towards C-H bond functionalization of non-natural substrates.

Copper and l-sodium ascorbate catalyzed hydroxylation and aryloxylation of aryl halides

Song, Guang-Lin,Zhang, Zhang,Da, Yu-Xia,Wang, Xi-Cun

supporting information, p. 8823 - 8829 (2015/10/20)

CuSO4·5H2O and NaAsc catalyzed hydroxylation and C-O/C-S cross-coupling reactions of aryl halides with phenols or 4-methylbenzenethiol were described. A wide range of substrates and test cases highlight the synthetic utility of the approach. A series of phenols, diaryl ethers, alkylaryl ethers, and diaryl thioethers were synthesized in high yield.

Novel organogelators based on pyrazine-2,5-dicarboxylic acid derivatives and their mesomorphic behaviors

Huang, Yao-Dong,Tu, Wei,Yuan, Yu-Qin,Fan, Dong-Li

supporting information, p. 1274 - 1282 (2014/02/14)

A series of new low molecular organogelators (LMOGs) with thermotropic mesophase were synthesized via the reaction of 3,6-dimethyl-pyrazine-2,5- dicarboxylic acid with p-alkoxyl anilines. These compounds readily formed stable gels in a variety of organic solvents and their self-assembly behavior, structure-property relationship were investigated by scanning electron microscopy (SEM), X-ray diffraction (XRD), 1H nuclear magnetic resonance (1H NMR), Fourier transform infrared spectroscopy (FTIR) and ultra-violet-visible spectroscopy (UV). The results showed a combination of intra-hydrogen bonding, π-π stacking and van der Waals interaction resulted in the aggregation of the organogelators to form three-dimension fibrous networks. The gels formed were multi-responsive to environmental stimuli, such as temperature, fluorinion, and shear stress. More importantly, all the organogelators exhibited thermotropic hexagonal column mesophase as revealed by differential scanning calorimetry (DSC), polarized optical microscopy (POM), and variable temperature XRD studies. A control compound was synthesized and its gelling ability was also checked.

AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY

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Page/Page column 120, (2014/08/19)

Amine compounds having activity against inflammation, fungi, unicellular parasitic microorganisms, and cancer are described. The compounds contain a monocyclic, bicyclic, or tricyclic aromatic ring having one, two, or three ring nitrogen atoms.

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