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2,5-Dibromoterephthalic acid diethyl ester is a chemical compound characterized by the molecular formula C14H14Br2O4. It is a diethyl ester derivative of 2,5-dibromoterephthalic acid, which itself is a brominated form of terephthalic acid. 2,5-Dibromoterephthalic acid diethyl ester is recognized for its role as a versatile building block in the synthesis of a diverse array of organic molecules, including those used in pharmaceuticals, agrochemicals, and the development of advanced materials.

18013-97-3

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18013-97-3 Usage

Uses

Used in Pharmaceutical Industry:
2,5-Dibromoterephthalic acid diethyl ester is utilized as a key intermediate in the synthesis of pharmaceuticals, given its ability to be incorporated into the molecular structures of various drugs. Its presence in the synthesis process can contribute to the development of new medications with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 2,5-Dibromoterephthalic acid diethyl ester serves as a precursor for the production of certain agrochemicals. Its use in this context is instrumental in the creation of compounds that can be applied in agricultural settings to protect crops and enhance yields.
Used in Advanced Materials Industry:
2,5-Dibromoterephthalic acid diethyl ester is employed as a component in the development of advanced materials, where its unique chemical structure can impart specific characteristics to the final product, such as improved thermal stability or enhanced mechanical properties.
Used in Chemical Industry for Polymer and Resin Production:
Within the broader chemical industry, 2,5-Dibromoterephthalic acid diethyl ester is used in the production of polymers and resins. Its integration into these materials can result in polymers with tailored properties, such as increased resistance to environmental factors or specific mechanical attributes.
Used as a Reagent in Organic Synthesis:
2,5-Dibromoterephthalic acid diethyl ester also functions as a reagent in organic synthesis, where it can participate in various chemical reactions to form a wide range of organic compounds, contributing to the versatility and complexity of synthesized products.
Used as a Starting Material for Aromatic Compounds:
Furthermore, it is used as a starting material for the preparation of functionalized aromatic compounds. This application underscores its importance in the synthesis of specialty chemicals that often have unique applications in various industries, such as dyes, fragrances, or even in the development of new high-performance materials.

Check Digit Verification of cas no

The CAS Registry Mumber 18013-97-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,0,1 and 3 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 18013-97:
(7*1)+(6*8)+(5*0)+(4*1)+(3*3)+(2*9)+(1*7)=93
93 % 10 = 3
So 18013-97-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H12Br2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3

18013-97-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name diethyl 2,5-dibromobenzene-1,4-dicarboxylate

1.2 Other means of identification

Product number -
Other names ethyl 2,5-dibromoterephthalate

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:18013-97-3 SDS

18013-97-3Relevant academic research and scientific papers

Fluorescence response of cruciform D-π-A-π-D phenothiazine derivatives to mechanical force

Zhang, Tong,Zhang, Chunyu,Li, Xiaoting,Liang, Meng,Bian, Weixiao,Zhang, Yan,Wang, Kunpeng,Xue, Pengchong

, p. 4192 - 4199 (2019)

Two cruciform D-π-A-π-D phenothiazine derivatives with two ester groups as electron-withdrawing moieties (i.e., EPTD and BPTD, with ethyl and butyl groups, respectively) were synthesized, and their responses to mechanical force stimuli were investigated. EPTD was found to have two polymorphs, namely, EPTD-Y and EPTD-R, with yellow and orange-red fluorescence, respectively. Single-crystal analysis illustrated that strong π-stacking affirmed by a short interplanar distance of 2.98 ? existed in the EPTD-Y crystal, which caused a large red-shift of 72 nm in the absorption spectrum. Meanwhile, although the π-stacking distance reached 3.74 ?, the electrostatic attraction between ester and phenothiazine moieties as an acceptor and donor, respectively, existed in the EPTD-R crystal, which may be responsible for its long emission wavelength. EPTD-R maintained its π-stacking after applying a mechanical force stimulus because its absorption and emission bands only slightly shifted. A fluorescence change from yellow to red occurred for the EPTD-Y crystal after grinding. The spectral results suggested that similar π-stacking existed in EPTD-R and EPTD-Y ground powders and was identical to that in the EPTD-R crystal. In addition, the BPTD crystal emitted green fluorescence due to weak π-stacking induced by a large stacking distance of 4.15 ?. Interestingly, it also changed its fluorescence into red after grinding because of the presence of π-stacking similar to that of the EPTD-R ground solid. Thus, π-stacking can be determined in three amorphous solids.

A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: Combining a "bridge" and "pillar" in one ligand

Al-Fayaad, Hydar A.,Athukorala Arachchige, Kasun S.,Clegg, Jack K.

, p. 5310 - 5315 (2020/09/03)

Two of the most successful strategies for the preparation of three-dimensional coordination polymers and MOFs are reticular synthesis and pillaring. Here we present a new approach which combines aspects of both of these by employing a heterofunctional dicarboxylic and dipyridyl ligand, 2,5-di(pyridin-4-yl)terephthalic acid (H2L). The reaction of H2L with zinc(ii) produces a non-interpenetrated 3D coordination polymer [ZnL(H2O)]n. This journal is

PREPARING METHOD OF SYNTHESIZING INDACENO DITHIENOTHIOPHENE COMPOUND

-

, (2019/12/25)

Provided is a manufacturing method of synthesizing an indaseno-dithienothiophene compound using, as a novel starting material, a bis(thieno[3,2-b] thiophen-2-yl)-bismethanone derivative. The manufacturing method of synthesizing the indaseno-dithienothiophene compound has an excellent synthetic yield and improves production efficiency.COPYRIGHT KIPO 2020

Mechanochromic diethyl terephthalate compound, as well as preparation method and application thereof

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Paragraph 0035; 0036, (2019/01/08)

The invention provides a mechanochromic diethyl terephthalate compound, as well as a preparation method and application thereof. The compound has a structural formula as shown in the specification, wherein n is 2, 4, 6, 8, 12 and 16, can be applied to mechanochromic materials, information storage and landmark anti-counterfeiting and preparation of mechanochromic films. The preparation method is simple, and the film prepared by the method has excellent mechanochromic property, color under natural light and fluorescent color can be changed under mechanical force, and the film can be quickly restored to the original state under the atmosphere of an organic solvent or under a heating condition, so that the process has recyclability, which indicates that the compound can be recycled. The mechanochromic diethyl terephthalate compound has excellent optical stability, high repeatability and high contrast ratio, and has a wide application prospect in information storage and anti-counterfeitingaspects.

A Series of Lanthanide Coordination Polymers Based on Designed Bifunctional 1,4-Bis(imidazol-1-yl)terephthalic Acid Ligand: Structural Diversities, Luminescence, and Magnetic Properties

Zhang, Xiu-Tang,Fan, Li-Ming,Fan, Wei-Liu,Li, Bin,Liu, Guang-Zeng,Liu, Xin-Zheng,Zhao, Xian

, p. 3993 - 4004 (2016/07/16)

On the basis of the designed bifunctional 1,4-bis(imidazol-1-yl)terephthalic acid (H2BTA) ligand, a series of three-dimensional lanthanide coordination polymers, namely, [La2(BTA)1.5(ox)1.5(H2O)3]n (1), [Nd(BTA)(ox)0.5(H2O)]n (2), {[Ln(HBTA)(ox)(H2O)]·xH2O}n (Ln = Pr for 3 (x = 0), Sm for 4 (x = 0), Dy for 5 (x = 1.5), and Eu for 6 (x = 1)), and [Ln(BTA)(SO4)0.5(H2O)]n (Ln = Eu for 7, and Tb for 8) were obtained with the help of oxalate or sulfate ions. On the basis of the binuclear La2 secondary building unit (SBUs), the framework of 1 displays an unprecedented (3,3,4,9)-connected net with the point symbol of (411.55.614.75.8)2(42.5)2(43)2(44.62). While in complex 2, the binuclear Nd2 SBUs are connected by the BTA2- ligands to generate an interestingly (4,10)-connected (412.516.612.75)(46)2 net. Complexes 3-6 are isomorphism and show a 2-fold interpenetrated 4-connected (66)-dia net. Complexes 7 and 8 are isomorphism and show a novel (4,5)-connected (44.62)(44.66) net. Photoluminescence investigations show that 2 is a good near-infrared luminescent material, and 4 is a rarely reported single component white light emitting material. Complexes 6 and 7 show typically red emission, while complex 8 shows typically green emission, which can be used as a red or green emitting phosphor. Moreover, the luminescent lifetimes and quantum yields of the titled complexes were investigated. The magnetic susceptibility data of 2 indicated there are antiferromagnetic interactions between the NdIII ions.

Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains

Xue, Pengchong,Sun, Jiabao,Chen, Peng,Gong, Peng,Yao, Boqi,Zhang, Zhenqi,Qian, Chong,Lu, Ran

, p. 4086 - 4092 (2015/04/27)

Three 2,5-dialkylcarbazole-substituted terephthalate derivatives, in which carbazole and ethoxylcarbonyl groups are used as electron-donating and -accepting moieties, respectively, were synthesized. Owing to the presence of steric hindrance between ethoxylcarbonyl and carbazole groups, three compounds show intense blue fluorescence in both solution and the solid state. The fluorescence quantum yields of compounds with octyl and hexadecyl groups in the solid state exceed 95%. Single-crystal structures of three compounds were obtained and used to interpret the strong emission in the solid state. More interestingly, three compounds exhibited alkyl length-dependent mechanofluorochromism. The compound with ethyl groups exhibited the largest spectral shift under force stimuli, but that with a hexadecyl moiety did not change its emission color after grinding. Because of strong fluorescence in solution and the solid state, we believe that they can be used as luminescent materials and sensors. This journal is

Organic photoelectric material and organic photoelectric device and image sensor

-

Page/Page column, (2014/03/21)

An organic photoelectric material may include a compound represented by the above Chemical Formula 1, and an organic photoelectric device and an image sensor including the organic photoelectric material.

Organic photoelectric material and organic photoelectric device and image sensor

-

Page/Page column, (2015/01/16)

An organic photoelectric material may include a compound represented by the above Chemical Formula 1, and an organic photoelectric device and an image sensor including the organic photoelectric material.

4,9-dihydro-4,4,9,9-tetrahexyl- s -indaceno[1,2- b:5,6- b ′]dithiophene as a π-spacer of donor-π-acceptor dye and its photovoltaic performance with liquid and solid-state dye-sensitized solar cells

Cai, Liping,Moehl, Thomas,Moon, Soo-Jin,Decoppet, Jean-David,Humphry-Baker, Robin,Xue, Zhaosheng,Bin, Liu,Zakeeruddin, Shaik M,Graetzel, Michael

, p. 106 - 109 (2014/01/23)

A new D-π-A organic dye, LC-5, containing 4,9-dihydro-4,4,9,9- tetrahexyl-s-indaceno[1,2-b:5,6-b′]-dithiophene as a novel π-conjugated spacer has been synthesized and tested as a sensitizer in dye-sensitized solar cells (DSC). Volatile and ionic liquid electrolytes have been used in conjunction with the synthesized dye, and the electrolyte influence on the photovoltaic performance of DSCs was investigated. A detailed investigation, including transient photocurrent/photovoltage decay measurements and electrochemical impedance spectroscopy data, provide important conclusions about the influence of electrolytes on the photovoltaic parameters.

New photosensitizer with phenylenebisthiophene central unit and cyanovinylene 4-nitrophenyl terminal units for dye-sensitized solar cells

Mikroyannidis,Suresh,Roy,Sharma

, p. 5616 - 5623 (2011/06/26)

A new low band gap photosensitizer, D, which contains 2,2′-(1,4- phenylene) bisthiophene central unit and cyanovinylene 4-nitrophenyl terminal units at both sides was synthesized. The two carboxyls attached to the 2,5-positions of the phenylene ring act as anchoring groups. Dye D was soluble in common organic solvents, showed long-wavelength absorption maximum at 620-636 nm and optical band gap of 1.72 eV. The electrochemical parameters, i.e. the highest occupied molecular orbital (HOMO) (-5.1 eV) and the lowest unoccupied molecular orbital (LUMO) (-3.3 eV) energy levels of D show that this dye is suitable as molecular sensitizer. The quasi solid state dye-sensitized solar cell (DSSC) based on D shows a short circuit current (Jsc) of 9.95 mA/cm2, an open circuit voltage (Voc) of 0.70 V, and a fill factor (FF) of 0.64 corresponding to an overall power conversion efficiency (PCE) of 4.40% under 100 mW/cm2 irradiation. The overall PCE has been further improved to 5.52% when diphenylphosphinic acid (DPPA) coadsorbent is incorporated into the D solution. This increased PCE has been attributed to the enhancement in the electron lifetime and reduced recombination of injected electrons with the iodide ions present in the electrolyte with the use of DPPA as coadsorbant. The electrochemical impedance spectroscopy (EIS) results indicated that the augment ascribes to inhibited interfacial charge recombination between the conduction band electrons and the tri-iodide ions in the electrolyte.

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