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5-Bromoisophthalaldehyde, with the chemical formula C8H5BrO2, is an aromatic aldehyde that serves as a versatile reagent in organic synthesis. It is characterized by its white to light yellow solid appearance and its solubility in organic solvents such as ethanol and acetonitrile. 5-BROMOISOPHTHALALDEHYDE is known for its applications in the synthesis of a variety of organic compounds, including dyes, pharmaceuticals, and agrochemicals, as well as its utility in the development of fluorescent probes and sensors.

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  • 120173-41-3 Structure
  • Basic information

    1. Product Name: 5-BROMOISOPHTHALALDEHYDE
    2. Synonyms: 5-BROMOISOPHTHALALDEHYDE;1,3-BisforMyl-5-broMobenzene;5-Bromo-1,3-benzenedicarboxaldehyde;5-bromoisophthaldehyde;5-bromobenzene-1,3-dicarbaldehyde
    3. CAS NO:120173-41-3
    4. Molecular Formula: C8H5BrO2
    5. Molecular Weight: 213.0281
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 120173-41-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 307.1 °C at 760 mmHg
    3. Flash Point: 126.6 °C
    4. Appearance: /
    5. Density: 1.652 g/cm3
    6. Vapor Pressure: 0.000741mmHg at 25°C
    7. Refractive Index: 1.657
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 5-BROMOISOPHTHALALDEHYDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-BROMOISOPHTHALALDEHYDE(120173-41-3)
    12. EPA Substance Registry System: 5-BROMOISOPHTHALALDEHYDE(120173-41-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 120173-41-3(Hazardous Substances Data)

120173-41-3 Usage

Uses

Used in Organic Synthesis:
5-Bromoisophthalaldehyde is used as a reagent in organic synthesis for the preparation of various organic compounds. Its chemical properties make it a valuable component in the creation of dyes, pharmaceuticals, and agrochemicals, contributing to the development of new and improved products in these industries.
Used in Fluorescent Probes for Biological Systems:
In the field of biological research, 5-Bromoisophthalaldehyde is utilized as a fluorescent probe for the detection of amino acids and peptides. Its ability to fluoresce under certain conditions allows for the tracking and analysis of these biomolecules, aiding in the study of biological processes and the development of new diagnostic tools.
Used in Fluorescent Sensors for Environmental Monitoring:
5-Bromoisophthalaldehyde is also employed in the production of fluorescent sensors designed to detect the presence of metal ions in aqueous solutions. This application is particularly useful in environmental monitoring and analysis, where the detection of metal contaminants is crucial for assessing water quality and ensuring safety standards are met.
Used in Pharmaceutical Industry:
Within the pharmaceutical sector, 5-Bromoisophthalaldehyde is used as a key intermediate in the synthesis of various drugs. Its role in the development of new pharmaceuticals is significant, as it can contribute to the creation of more effective treatments and therapies.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Bromoisophthalaldehyde is used in the synthesis of compounds that are integral to the development of pesticides and other agricultural chemicals. Its contribution to this field helps in enhancing crop protection and increasing agricultural productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 120173-41-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,0,1,7 and 3 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 120173-41:
(8*1)+(7*2)+(6*0)+(5*1)+(4*7)+(3*3)+(2*4)+(1*1)=73
73 % 10 = 3
So 120173-41-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H5BrO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H

120173-41-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-bromobenzene-1,3-dicarbaldehyde

1.2 Other means of identification

Product number -
Other names 1,3-BENZENEDICARBOXALDEHYDE,5-BROMO

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:120173-41-3 SDS

120173-41-3Relevant articles and documents

Reversible Multistimuli Switching of a Spiropyran-Functionalized Organic Cage in Solid and Solution

Mondal, Bijnaneswar,Ghosh, Aloke Kumar,Mukherjee, Partha Sarathi

, p. 7783 - 7790 (2017)

A spiropyran-decorated covalent organic cage (PC2) has been designed, employing dynamic imine chemistry followed by imine bond reduction. The molecule is capable of altering its color upon exposure to external stimuli such as heat and light. Construction of a 3D organic cage introduces a new piece to the system by swapping the closed form with the open form in the solid state with diverse color change. Moreover, this material has high chemical stability and is capable of reversible stimuli-responsive color change without any degradation for an extended period.

Imine organic cages derived from tetraphenylethylene dialdehydes exhibiting aggregation-induced emission and explosives detection

Feng, Fanda,Huang, Wei,Peng, Yuxin,Zhang, Lei

, (2021/07/31)

Sensitive detection of explosives has always been a frontier research for scientists. In this work, two [3 + 2] imine organic cages (1 and 2) stemmed from distinct TPE-based dialdehydes (TPE-2CHO/TPE-2PCHO) and common tri(2-aminoethyl)amine were obtained. Both of them are fluorescence silence in solution and high-efficient AIE could be observed, which is different from all known TPE-based organic cages with AIEE properties. Because of the cage skeleton encircled by multiple benzene rings, the two cages can effectively detect various explosives including nitrobenzene, 2-nitrotoluene, 3-nitrotoluene, 4-nitrotoluene and 2,6-dinitrotoluene both in solution and in the solid state, in which cage 1 displays higher detection ability due to its nine encircling benzene donors

AMINOGUANIDINE HYDRAZONES AS RETROMER STABILIZERS USEFUL FOR TREATING NEUROLOGICAL DISEASES

-

Page/Page column 21; 46; 50-51, (2020/10/20)

The present invention relates to novel aminoguanidine hydrazone-derivatives of Formula (I) which are effective as retromer stabilizers and useful as neuroprotecting drugs. The invention also relates to pharmaceutical compositions comprising the compounds and their use in therapy and diagnostic.

AROMATIC RING-CONTAINING COMPOUND AND CANCER PREVENTIVE AND/OR THERAPEUTIC AGENT

-

, (2017/01/02)

PROBLEM TO BE SOLVED: To provide cancer preventive/therapeutic means that can exhibit cancer cell-specific therapeutic effect on many cancers. SOLUTION: According to one embodiment of the present invention, an aromatic ring-containing compound represented

Hexagon wreaths: Self-assembly of discrete supramolecular fractal architectures using multitopic terpyridine ligands

Wang, Ming,Li, Xiaopeng,Wang, Chao,Hao, Xin-Qi,Liu, Jingjing,Li, Xiaohong,Xu, Chenglong,Lopez, Alberto,Sun, Luyi,Song, Mao-Ping,Yang, Hai-Bo

, p. 6664 - 6671 (2014/05/20)

In this study, we overcame a challenge in conventional self-assembly of macrocycles that uses ditopic 2,2:6,2-terpyridine (tpy) building blocks with a 120angle between two ligating moieties, which generally produces a mixture of multiple macrocycles instead of a single hexagon. Two supramolecular hexagon wreaths, [Zn9LA6] and [Zn12LB6], were designed and self-assembled from tritopic and tetratopic tpy ligands with Zn(II) ions, respectively. These multitopic ligands, bearing multiple binding sites, increased the total density of coordination sites and provided high geometric constraints to induce the formation of discrete structures. Such hexagon wreaths, which were constructed by simple recursion of small hexagons around a central hexagon, exhibit fractal geometry features with self-similarity at different levels. The shapes, sizes, and structures were fully characterized by NMR, ESI-MS, traveling-wave ion mobility mass spectrometry (TWIM-MS), and transmission electron microscopy. With diameters around 5.5 nm for [Zn 9LA6] and 5.8 nm for [Zn12LB6], the remarkable rigidity of these fractal architectures was supported by TWIM-MS, in contrast to the high flexibility of macrocycles assembled by ditopic tpy ligands.

Syntheses, structures, and electronic and optical properties of platinum(II) complexes of 1,3-bis(imino)benzene-derived pincer ligands

Blackburn, Octavia A.,Coe, Benjamin J.,Helliwell, Madeleine,Raftery, James

, p. 5307 - 5320 (2012/11/07)

Six new PtII complexes of 5-substituted 1,3-bis(N-methylimino) benzene (bIBH)-derived ligands have been synthesized by direct reactions with K2PtIICl4 in glacial acetic acid. The ethenylene groups in the two sty

Construction of hexanuclear macrocycles by a coupling strategy from polyfunctionalized bis(terpyridines)

Eryazici, Ibrahim,Newkome, George R.

scheme or table, p. 345 - 357 (2009/06/21)

The construction of a heteronuclear (Ru4Fe2) hexameric metallomacrocycle with methyl- and carbonyl-functionalized bis(terpyridyl) moieties was achieved by a self-assembly of a dinuclear trimer, which was prepared in high yield via Pd

Synthesis of nitronyl- and imino-nitroxide-triradicals interconnected by phenyl ethynyl spacer

Catala, Laure,Turek, Philippe,Le Moigne, Jacques,De Cian, André,Kyritsakas, Nathalie

, p. 1015 - 1018 (2007/10/03)

The design and synthesis, as well as solid state and ESR characterisation of three new triradicals based on phenyl ethynyl backbone bearing nitronyl-nitroxide and imino-nitroxide groups, are reported. The synthesis of these compounds was based on palladium-coupling reactions between alkynyl and bromo derivatives. An ESR study showed magnetic interactions between the radicals through the phenyl ethynyl-coupling unit in solution. (C) 2000 Elsevier Science Ltd.

Enantioselective catalysis; 123: Octaaldehyde type chelating ligands - A divergent synthesis approach to easily tunable expanded ligands for enantioselective catalysis

Brunner,Janura,Stefaniak

, p. 1742 - 1749 (2007/10/03)

A broad range of optically active two-layer phosphanes was obtained by a divergent reaction sequence. Chirality was introduced into the ligands in the last step by easily performed Schiff base condensation of primary amines from the 'chiral pool' and achiral octaaldehydes containing a bisphosphane core. The two achiral precursors are 1,2-ethylene- and o-phenylene-bridged bisphosphanes with four 3,5-dicarbaldehyde-substituted phenyls, synthesized in six steps. The resulting octaimine ligands have been used in Rh, Pd and Ni complexes in several model reactions of enantioselective catalysis giving low optical inductions.

Design and synthesis of a "starburst"-type nonadiazo compound and magnetic characterization of its photoproduct

Matsuda, Kenji,Nakamura, Nobuo,Inoue, Katsuya,Koga, Noboru,Iwamura, Hiizu

, p. 259 - 264 (2007/10/03)

A "starburst"-type nonadiazo compound was designed and synthesized by using the cyclotrimerization of 3,5-dibenzylphenyl ethynyl ketone as a key step.The diazo compound was photolyzed in methyltetrahydrofuran solid solution at cryogenic temperatures and a

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