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5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol is a boronic acid derivative with the molecular formula C12H14B2BrF2O4. It is a white solid that is soluble in organic solvents and stable under standard ambient conditions. This chemical compound contains both bromine and fluorine atoms, making it an important building block in the synthesis of various pharmaceuticals, agrochemicals, and materials. Its unique structure and properties make it a valuable tool for developing new chemical compounds for a wide range of applications.

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  • 2-[5-bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

    Cas No: 942069-49-0

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  • 942069-49-0 Structure
  • Basic information

    1. Product Name: 5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol
    2. Synonyms: 5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol;2,2'-(5-Bromo-2-fluoro-1,3-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);5-Bromo-2-fluoro-1,3-phenylenediboronic acid, pinacol ester;2,2'-(5-Bromo-2-fluorobenzene-1,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
    3. CAS NO:942069-49-0
    4. Molecular Formula: C18H26B2BrFO4
    5. Molecular Weight: 426.923
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 942069-49-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 469.1±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.27±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol(CAS DataBase Reference)
    10. NIST Chemistry Reference: 5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol(942069-49-0)
    11. EPA Substance Registry System: 5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol(942069-49-0)
  • 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: 942069-49-0(Hazardous Substances Data)

942069-49-0 Usage

Uses

Used in Pharmaceutical Industry:
5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol is used as a building block for the synthesis of various pharmaceuticals. Its unique structure allows for the formation of carbon-carbon or carbon-heteroatom bonds, which are essential in the development of new drugs with improved efficacy and selectivity.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol serves as a key intermediate in the synthesis of agrochemicals. Its reactivity and stability make it suitable for the development of new compounds with enhanced pesticidal or herbicidal properties.
Used in Materials Science:
5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol is used as a precursor in the synthesis of advanced materials with unique properties. Its ability to form stable bonds with various elements makes it a valuable component in the development of new materials for applications such as electronics, optoelectronics, and nanotechnology.
Used as a Reagent in Organic Synthesis:
5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol is used as a reagent in organic synthesis to form carbon-carbon or carbon-heteroatom bonds. Its unique structure and properties make it a versatile tool for chemists to create new chemical compounds with specific functionalities and applications.
Overall, 5-Bromo-2-fluoro-1,3-phenylenediboronic acid,bispinacol is a versatile and valuable chemical compound with a wide range of applications across various industries, including pharmaceuticals, agrochemicals, materials science, and organic synthesis. Its unique structure and properties make it an essential building block for the development of new and innovative chemical compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 942069-49-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,4,2,0,6 and 9 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 942069-49:
(8*9)+(7*4)+(6*2)+(5*0)+(4*6)+(3*9)+(2*4)+(1*9)=180
180 % 10 = 0
So 942069-49-0 is a valid CAS Registry Number.

942069-49-0SDS

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 2,2'-(5-Bromo-2-fluoro-1,3-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

1.2 Other means of identification

Product number -
Other names 2-[5-bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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:942069-49-0 SDS

942069-49-0Downstream Products

942069-49-0Relevant articles and documents

Process for the synthesis of phenols from arenes

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Page 15; 18, (2008/06/13)

A process to synthesize substituted phenols such as those of the general formula RR′R″Ar(OH) wherein R, R′, and R″ are each independently hydrogen or any group which does not interfere in the process for synthesizing the substituted phenol including, but not limited to, halo, alkyl, alkoxy, carboxylic ester, amine, amide; and Ar is any variety of aryl or hetroaryl by means of oxidation of substituted arylboronic esters is described. In particular, a metal-catalyzed C—H activation/borylation reaction is described, which when followed by direct oxidation in a single or separate reaction vessel affords phenols without the need for any intermediate manipulations. More particularly, a process wherein Ir-catalyzed borylation of arenes using pinacolborane (HBPin) followed by oxidation of the intermediate arylboronic ester by OXONE is described.

C-H activation/borylation/oxidation: A one-pot unified route to meta-substituted phenols bearing ortho-/para-directing groups

Maleczka Jr., Robert E.,Shi, Feng,Holmes, Daniel,Smith III, Milton R.

, p. 7792 - 7793 (2007/10/03)

An efficient one-pot C-H activation/borylation/oxidation protocol for the preparation of phenols is described. This method is particularly attractive for the generation of meta-substituted phenols bearing ortho-/para-directing groups, as such substrates are difficult to access by other phenol syntheses. Copyright

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