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Dibenzothiophene-2-boronic acid is an organic compound with the chemical formula C12H9BO2S. It is an off-white powder and serves as a valuable reagent in various organic synthesis and chemical processes due to its unique chemical properties.

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  • 668983-97-9 Structure
  • Basic information

    1. Product Name: DIBENZOTHIOPHENE-2-BORONIC ACID
    2. Synonyms: DIBENZO[B,D]THIEN-2-YLBORONIC ACID;DIBENZO[B,D]THIOPHEN-2-YLBORONIC ACID;DIBENZOTHIOPHENE-2-BORONIC ACID;CHEMBRDG-BB 3200967;IFLAB-BB F1371-0134;Dibenzo[b,d]thiophen-2-ylboronic acid , May contain varying amounts of anhydride, 97%;dibenzo[b,d]thien-2-ylboronic acid(SALTDATA: FREE);Dibenzothiophene-2-Boronic
    3. CAS NO:668983-97-9
    4. Molecular Formula: C12H9BO2S
    5. Molecular Weight: 228.07
    6. EINECS: 1312995-182-4
    7. Product Categories: N/A
    8. Mol File: 668983-97-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 480℃
    3. Flash Point: 244℃
    4. Appearance: /
    5. Density: 1.38
    6. Vapor Pressure: 4.97E-10mmHg at 25°C
    7. Refractive Index: 1.738
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: DMSO (Slightly), Methanol (Slightly)
    10. PKA: 8.39±0.30(Predicted)
    11. CAS DataBase Reference: DIBENZOTHIOPHENE-2-BORONIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: DIBENZOTHIOPHENE-2-BORONIC ACID(668983-97-9)
    13. EPA Substance Registry System: DIBENZOTHIOPHENE-2-BORONIC ACID(668983-97-9)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 668983-97-9(Hazardous Substances Data)

668983-97-9 Usage

Uses

Used in Organic Synthesis:
Dibenzothiophene-2-boronic acid is used as a reagent in organic synthesis for the formation of new carbon-carbon bonds and the functionalization of organic molecules. Its boronic acid group allows it to participate in Suzuki-Miyaura cross-coupling reactions, a widely used method for carbon-carbon bond formation in the synthesis of complex organic molecules.
Used in Chemical Processes:
In the chemical industry, dibenzothiophene-2-boronic acid is utilized as a reagent in various chemical processes, including the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its unique chemical properties enable it to act as a building block or a modifying agent in the development of novel compounds with specific applications and properties.

Check Digit Verification of cas no

The CAS Registry Mumber 668983-97-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,6,8,9,8 and 3 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 668983-97:
(8*6)+(7*6)+(6*8)+(5*9)+(4*8)+(3*3)+(2*9)+(1*7)=249
249 % 10 = 9
So 668983-97-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H9BO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7,14-15H

668983-97-9 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (H64816)  Dibenzothiophene-2-boronic acid, 97%   

  • 668983-97-9

  • 250mg

  • 424.0CNY

  • Detail
  • Alfa Aesar

  • (H64816)  Dibenzothiophene-2-boronic acid, 97%   

  • 668983-97-9

  • 1g

  • 1274.0CNY

  • Detail
  • Alfa Aesar

  • (H64816)  Dibenzothiophene-2-boronic acid, 97%   

  • 668983-97-9

  • 5g

  • 5086.0CNY

  • Detail
  • Aldrich

  • (CBR01389)  Dibenzo[b,d]thien-2-ylboronic acid  AldrichCPR

  • 668983-97-9

  • CBR01389-1G

  • 1,930.50CNY

  • Detail

668983-97-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Dibenzothiophene-2-Boronic Acid

1.2 Other means of identification

Product number -
Other names dibenzothiophen-2-ylboronic acid

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:668983-97-9 SDS

668983-97-9Downstream Products

668983-97-9Relevant articles and documents

Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates

Music, Arif,Baumann, Andreas N.,Spie?, Philipp,Plantefol, Allan,Jagau, Thomas C.,Didier, Dorian

supporting information, p. 4341 - 4348 (2020/03/04)

We report herein versatile, transition metal-free and additive-free (hetero)aryl-aryl coupling reactions promoted by the oxidative electrocoupling of unsymmetrical tetra(hetero)arylborates (TABs) prepared from ligand-exchange reactions on potassium trifluoroarylborates. Exploiting the power of electrochemical oxidations, this method complements the existing organoboron toolbox. We demonstrate the broad scope, scalability, and robustness of this unconventional catalyst-free transformation, leading to functionalized biaryls and ultimately furnishing drug-like small molecules, as well as late stage derivatization of natural compounds. In addition, the observed selectivity of the oxidative coupling reaction is related to the electronic structure of the TABs through quantum-chemical calculations and experimental investigations.

Bending-Type Electron Donor-Donor-Acceptor Triad: Dual Excited-State Charge-Transfer Coupled Structural Relaxation

Lin, Jia-An,Li, Shu-Wei,Liu, Zong-Ying,Chen, Deng-Gao,Huang, Chun-Ying,Wei, Yu-Chen,Chen, Yi-Yun,Tsai, Zheng-Hua,Lo, Chun-Yuan,Hung, Wen-Yi,Wong, Ken-Tsung,Chou, Pi-Tai

, p. 5981 - 5992 (2019/08/27)

The triad types of molecules with various combinations of electron donors (D) and acceptors (A) have been widely explored in optoelectronics. However, their photophysical and photochemical properties, which are frequently unconventional, are relatively unexplored. In this study, a donor-donor-acceptor (D-D-A)-type triad, CTPS, consisting of the donor moiety of triphenylamine (D1) and the acceptor moiety of dibenzothiophene sulfone (A) bridging through the second donor carbazole (D2) into a U-shape configuration, was synthesized. CTPS exhibited dual emission bands, both of which reveal solvent-polarity-dependent solvatochromism and unusual excitation-wavelength-dependent ratiometric emission. Comprehensive studies clarified that two emissions originate from two different D-A charge-transfer (CT) states. The lower-energy CT(S) state possesses D1 → A through-space CT nature with optically forbidden transition, whereas the higher-lying CT(B) state is associated with optically allowed D2 → A CT through the π-conjugation transition. Upon S0 → CT(B) excitation, the charge transfer creates D2δ+Aδ- dipolar changes and Aδ--D1 repulsion, leading to structural relaxation of the CT(B) state that competes with fast CT(B) → CT(S) internal conversion. Therefore, despite the fact that they originate from the same Franck-Condon excited state, both energy-stabilized CT(B) and CT(S) states are populated through two independent channels. The stabilized CT(B) and CT(S) states possess different optimized geometries and do not interconvert during their lifespans, rendering different population decay time constants. The slim highest occupied molecular orbital/lowest unoccupied molecular orbital overlapped D1-A CT(S) state exhibits thermally activated delayed fluorescence (TADF), the character of which was further exploited as a host in organic light-emitting diode. The results gain new insights into the properties of the bending-type D-D-A TADF triads. CTPS should not be a unique case. Bizarre photophysical behavior encountered in molecules comprising multiple D and A groups may involve the interplay among various local CT states, which might have been overlooked.

NOVEL TRIAZINE COMPOUND, AND ORGANIC ELECTRONIC ELEMENT AND PLANT-GROWING LIGHTING THAT USE THE SAME

-

Paragraph 0076, (2018/07/28)

PROBLEM TO BE SOLVED: To provide a triazine compound which has a high triplet energy level and excellent heat resistance, and can be used as an organic electronic element material realizing an element with high efficiency, low voltage and a long life. SOLUTION: In the triazine compound, as represented by the general formula [1] in the figure, a triazine backbone moiety is linked to a dibenzofuran or dibenzothiophene backbone moiety via a biphenyl backbone moiety, where X is an oxygen atom or sulfur atom. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPO&INPIT

Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same

-

Page/Page column 43-45, (2018/07/29)

Disclosed are a novel-structural compound including a 5-membered heterocycle, an organic electronic device using the same, and a terminal thereof.

NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME

-

Paragraph 0105; 0182-0183, (2018/03/28)

The present invention relates to an organic light-emitting compound represented by [Chemical Formula A] and an organic light-emitting device. In Chemical Formula, A, X, Y, Z, and the substituents R1 to R8, and R11 to R20 are as defined in the specification.

COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND A ELECTRONIC DEVICE THEREOF

-

Paragraph 0142-0145, (2019/01/30)

The present invention provides a novel compound containing a heteroaromatic hetero ring capable of improving luminous efficiency, stability and lifetime of a device, an organic electric device using the same, and an electric apparatus thereof. The present

An organoelectro luminescent compounds and organoelectro luminescent device using the same

-

Paragraph 0238-0242, (2016/10/09)

The present invention relates to an organic light emitting compound represented by chemical formula 1, and to an organic electroluminescent light emitting device comprising the same. The organic electroluminescent device applying the organic light emitting compound has excellent light emitting efficiency compared with a device applying an existing phosphorescent host compound, and has a low driving voltage and excellent long lifespan.COPYRIGHT KIPO 2016

Compound Containing At Least Two 5-Membered Heterocycle And Organic Electronic Element Using The Same, Terminal Thereof

-

Paragraph 0098-0101, (2016/11/21)

The present invention refers to 2 one or more user five won including and optical material using it heterocycle organic device, provides terminal with. (by machine translation)

COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF

-

Paragraph 0120-0121; 0124-0125, (2016/10/07)

In the present invention, provided is a compound represented by chemical formula 1. In addition, provided is an organic electric device comprising: a first electrode; a second electrode; and an organic material layer between the first electrode and the second electrode, wherein the organic material layer comprises a compound represented by chemical formula 1. If the compound represented by chemical formula 1 is included in the organic material layer of the organic electric device, driving voltage is reduced and light emitting efficiency, color purity and lifespan can be improved.(110) Substrate(120) Positive electrode(130) Hole injection layer(140) Hole transport layer(141) Buffer layer(150) Light emitting layer(151) Light-emitting assisting layer(160) Electron transport layer(170) Electron injection layer(180) Negative electrodeCOPYRIGHT KIPO 2016

AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME

-

Paragraph 0114; 0125, (2015/07/15)

An aromatic amine derivative represented by formula (1): wherein R1, R2, R3, L, Ar1, Ar2, k, m, and n are the same as defined in the specification, is useful as a material for an organic EL device and realizes an organic EL device with a high efficiency and a long lifetime even when driving it at a low voltage.

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