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3-Chloro-4-(trifluoromethoxy)phenylboronic acid is a chemical compound with the molecular formula C7H5BClF3O3. It is a boronic acid derivative characterized by a phenyl group substituted with chloro and trifluoromethoxy groups. 3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID is known for its versatility in various chemical reactions and applications across different industries.

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  • 870822-79-0 Structure
  • Basic information

    1. Product Name: 3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
    2. Synonyms: 3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
    3. CAS NO:870822-79-0
    4. Molecular Formula: C7H5BClF3O3
    5. Molecular Weight: 240.3720096
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 870822-79-0.mol
  • Chemical Properties

    1. Melting Point: 202-204 °C
    2. Boiling Point: 295.3±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.53±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 7.27±0.10(Predicted)
    10. CAS DataBase Reference: 3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID(870822-79-0)
    12. EPA Substance Registry System: 3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID(870822-79-0)
  • 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: 870822-79-0(Hazardous Substances Data)

870822-79-0 Usage

Uses

Used in Organic Synthesis:
3-Chloro-4-(trifluoromethoxy)phenylboronic acid is used as a reagent in the Suzuki-Miyaura cross-coupling reaction, a widely employed method for forming carbon-carbon bonds. Its use in this reaction facilitates the synthesis of complex organic molecules with potential applications in various fields.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-Chloro-4-(trifluoromethoxy)phenylboronic acid is utilized for the synthesis of various drug molecules. Its unique structure and reactivity make it a valuable building block in the development of new pharmaceutical compounds with diverse therapeutic properties.
Used in Materials Science:
3-Chloro-4-(trifluoromethoxy)phenylboronic acid has potential applications in materials science, where it can be incorporated into the design and synthesis of novel materials with specific properties. Its use in this field can contribute to the development of advanced materials for various applications, such as electronics, coatings, and composites.
Used in Catalysis:
As a boronic acid derivative, 3-Chloro-4-(trifluoromethoxy)phenylboronic acid can be employed as a catalyst or a catalyst precursor in various chemical reactions. Its use in catalysis can enhance the efficiency and selectivity of reactions, leading to the production of desired products with improved yields and reduced environmental impact.
Used in Agrochemicals:
3-Chloro-4-(trifluoromethoxy)phenylboronic acid also has potential applications in the agrochemical industry, where it can be used in the synthesis of active ingredients for pesticides, herbicides, and other crop protection products. Its unique properties may contribute to the development of more effective and environmentally friendly agrochemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 870822-79-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,0,8,2 and 2 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 870822-79:
(8*8)+(7*7)+(6*0)+(5*8)+(4*2)+(3*2)+(2*7)+(1*9)=190
190 % 10 = 0
So 870822-79-0 is a valid CAS Registry Number.

870822-79-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name [3-chloro-4-(trifluoromethoxy)phenyl]boronic acid

1.2 Other means of identification

Product number -
Other names 3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC 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:870822-79-0 SDS

870822-79-0Downstream Products

870822-79-0Relevant articles and documents

GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE

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Paragraph 00582; 00584; 00590; 00591, (2021/01/22)

Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY

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Page/Page column 11, (2012/02/06)

The present invention relates to novel nitroimidazooxazines, to their preparation, and to their use as drugs for treating Mycobacterium tuberculosis and other microbial infections, either alone or in combination with other anti-infective treatments.

2-PYRIDONE COMPOUNDS

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Page/Page column 76, (2011/10/12)

A 2-pyridone compound represented by the formula [1]: {wherein in the formula [1], the ring represented by A represents a benzene ring or a pyridine ring, X represents any of the structures represented by the formulas [3] shown below: V represents a single bond or a lower alkylene group, and W represents a single bond, an ether bond or a lower alkylene group (wherein the lower alkylene group may contain an ether bond)}, a tautomer or stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof is a compound that has an excellent GK activating effect and is useful as a pharmaceutical.

NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY

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Page/Page column 28, (2011/02/24)

The present invention relates to novel nitroimidazooxazines, to their preparation, and to their use as drugs for treating Mycobacterium tuberculosis and other microbial infections, either alone or in combination with other anti-infective treatments.

Synthesis and structure-activity relationships of aza- and diazabiphenyl analogues of the antitubercular drug (6 S)-2-nitro-6-{[4-(trifluoromethoxy) benzyl]oxy}-6,7-dihydro-5 H-imidazo[2,1-b][1,3]oxazine (PA-824)

Kmentova, Iveta,Sutherland, Hamish S.,Palmer, Brian D.,Blaser, Adrian,Franzblau, Scott G.,Wan, Baojie,Wang, Yuehong,Ma, Zhenkun,Denny, William A.,Thompson, Andrew M.

supporting information; experimental part, p. 8421 - 8439 (2011/02/21)

New heterocyclic analogues of the potent biphenyl class derived from antitubercular drug PA-824 were prepared, aiming to improve aqueous solubility but maintain high metabolic stability and efficacy. The strategy involved replacement of one or both phenyl

ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE

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Page/Page column 47, (2009/10/18)

Certain aryl-hydroxyethylamino-pyrimidine and triazine compounds are described, which are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity, such as anxiety, pain, inflammation, sleep disorders, eating disorders, energy metabolism disorders, and movement disorders (e.g., multiple sclerosis). Methods of synthesizing such compounds are also disclosed.

Pyrazole derivatives, compositions containing such compounds and methods of use

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Page/Page column 20, (2008/06/13)

Pyrazoles having a naphthyl group attached are disclosed. The compounds are useful for treating type 2 diabetes and related conditions. Pharmaceutical compositions and methods of treatment are also included.

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