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5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine is a pyridine derivative with the molecular formula C6H3BrF3NO. It features a bromine atom, a hydroxyl group, and a trifluoromethyl group, which contribute to its unique structure and properties. This chemical compound is utilized in various applications, including the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals, as well as in chemical research.

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  • 76041-79-7 Structure
  • Basic information

    1. Product Name: 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
    2. Synonyms: 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine;5-Bromo-3-(trifluoromethyl)pyridin-2-ol;5-BROMO-3-TRIFLUOROMETHYL-2-PYRIDONE;2-hydroxy-5-broMo-3-trifluoropyridine;5-BroMo-3-trifluoroMethyl-1H-pyridin-2-one;5-broMo-3-(trifluoroMethyl)-2(1H)-pyridinone;5-Bromo-3-(trifluoromethyl)pyridin-2-ol, 5-Bromo-2-hydroxy-alpha,alpha,alpha-trifluoro-3-picoline
    3. CAS NO:76041-79-7
    4. Molecular Formula: C6H3BrF3NO
    5. Molecular Weight: 241.9933296
    6. EINECS: N/A
    7. Product Categories: Fluorine series
    8. Mol File: 76041-79-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 229.4 °C at 760 mmHg
    3. Flash Point: 92.5 °C
    4. Appearance: /Solid
    5. Density: 1.876 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: 7.61±0.10(Predicted)
    10. CAS DataBase Reference: 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine(76041-79-7)
    12. EPA Substance Registry System: 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine(76041-79-7)
  • 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: 76041-79-7(Hazardous Substances Data)

76041-79-7 Usage

Uses

Used in Organic Synthesis:
5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine is used as a building block in organic synthesis for the preparation of various pharmaceuticals and agrochemicals. Its unique structure allows for the creation of a wide range of compounds with potential therapeutic and agricultural applications.
Used in Specialty Chemicals Production:
5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine is also employed in the production of specialty chemicals, where its specific functional groups can be utilized to create unique chemical entities with tailored properties for specific industrial applications.
Used in Chemical Research:
5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine serves as a reagent in chemical research, where its properties and reactivity are studied to gain insights into new chemical reactions and mechanisms.
Used in Drug Development:
Due to its unique structure and properties, 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine may have potential applications in the development of new drugs. Its functional groups can be modified to create novel drug candidates with improved pharmacological profiles.
Used in Material Science:
5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine may also find applications in the development of new materials, where its specific properties can be leveraged to create materials with unique characteristics for various applications.
It is important to handle 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine with care and take necessary precautions, as it may pose hazards to health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 76041-79-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,0,4 and 1 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 76041-79:
(7*7)+(6*6)+(5*0)+(4*4)+(3*1)+(2*7)+(1*9)=127
127 % 10 = 7
So 76041-79-7 is a valid CAS Registry Number.

76041-79-7 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Alfa Aesar

  • (H66885)  5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine, 98%   

  • 76041-79-7

  • 250mg

  • 280.0CNY

  • Detail
  • Alfa Aesar

  • (H66885)  5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine, 98%   

  • 76041-79-7

  • 1g

  • 840.0CNY

  • Detail
  • Alfa Aesar

  • (H66885)  5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine, 98%   

  • 76041-79-7

  • 5g

  • 3360.0CNY

  • Detail

76041-79-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-bromo-3-(trifluoromethyl)-1H-pyridin-2-one

1.2 Other means of identification

Product number -
Other names 5-BROMO-2-HYDROXY-3-(TRIFLUOROMETHYL)PYRIDINE

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:76041-79-7 SDS

76041-79-7Relevant articles and documents

De novo Design of Organic Photocatalysts: Bithiophene Derivatives for the Visible-light Induced C?H Functionalization of Heteroarenes

Bottecchia, Cecilia,Martín, Raúl,Abdiaj, Irini,Crovini, Ettore,Alcazar, Jesús,Orduna, Jesús,Blesa, María Jesús,Carrillo, José R.,Prieto, Pilar,No?l, Timothy

supporting information, p. 945 - 950 (2019/01/25)

Herein, we report the de novo synthesis and characterization of a series of substituted bithiophene derivatives as novel and inexpensive organic photocatalysts. DFT calculations were used to predict a priori their absorption spectra and redox potentials, which were then confirmed with empirical data. The photocatalytic activity of this novel class of organic photoredox catalyst was demonstrated in two visible-light mediated strategies for the C?H functionalization of heteroarenes. The implementation of these strategies in a continuous-flow photo-microreactor afforded moderate to excellent yields within few minutes of reaction time. Due to their straightforward synthesis, low cost and good photocatalytic properties we believe that the proposed bithiophene derivatives could be employed as a new class of organic photoredox catalysts. (Figure presented.).

Visible-Light-Induced Trifluoromethylation of Highly Functionalized Arenes and Heteroarenes in Continuous Flow

Abdiaj, Irini,Bottecchia, Cecilia,Alcazar, Jesus,No?l, Timothy

, p. 4978 - 4985 (2017/10/06)

We report a continuous-flow protocol for the trifluoromethylation of arenes, heteroarenes, and benzofused heterocycles. This photoredox methodology relies on the use of solid sodium trifluoromethanesulfinate (CF 3 SO 2 Na) as the trifluoromethylating agent and the iridium complex [Ir{dF(CF 3)ppy} 2 ](dtbpy)]PF 6 as the photoredox catalyst. A diverse set of highly functionalized heterocycles proved compatible with the methodology, and moderate to good yields were obtained within 30 minutes of residence time.

PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS

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Paragraph 0171; 0172, (2013/03/26)

Disclosed are pyrimidine derivatives for use as a sphingosine 1-phosphate 1 (S1P1) receptor agonists, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of conditions or diseases mediated by S1P1 receptors, particularly multiple sclerosis.

PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES

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Page/Page column 69-70, (2012/11/06)

The invention provides modulators for the orphan nuclear receptor RORy and methods for treating RORy mediated diseases by administrating these novel RORy modulators to a human or a mammal in need thereof. Specifically, the present invention provides pyrrolo sulfonamide compounds of Formula (1) and the enantiomers, diastereomers, tautomers, solvates and pharmaceutically acceptable salts thereof.

Discovery of pyridone-containing imidazolines as potent and selective inhibitors of neuropeptide Y Y5 receptor

Ando, Makoto,Sato, Nagaaki,Nagase, Tsuyoshi,Nagai, Keita,Ishikawa, Shiho,Takahashi, Hirobumi,Ohtake, Norikazu,Ito, Junko,Hirayama, Mioko,Mitobe, Yuko,Iwaasa, Hisashi,Gomori, Akira,Matsushita, Hiroko,Tadano, Kiyoshi,Fujino, Naoko,Tanaka, Sachiko,Ohe, Tomoyuki,Ishihara, Akane,Kanatani, Akio,Fukami, Takehiro

experimental part, p. 6106 - 6122 (2009/12/24)

A series of 2-pyridone-containing imidazoline derivatives was synthesized and evaluated as neuropeptide Y Y5 receptor antagonists. Optimization of the 2-pyridone structure on the 2-position of the imidazoline ring led to identification of 1-(difluoromethy

2-Amino-5-aryl-pyridines as selective CB2 agonists: Synthesis and investigation of structure-activity relationships

Gleave, Robert J.,Beswick, Paul J.,Brown, Andrew J.,Giblin, Gerard M.P.,Haslam, Carl P.,Livermore, David,Moses, Andrew,Nicholson, Neville H.,Page, Lee W.,Slingsby, Brian,Swarbrick, Martin E.

scheme or table, p. 6578 - 6581 (2010/06/12)

2-Amino-5-aryl-pyridines, exemplified by compound 1, had been identified as a synthetically tractable series of CB2 agonists from a high-throughput screen of the GlaxoSmithKline compound collection. Described herein are the results of an investigation of the structure-activity relationships (SAR) which led to the identification a number of potent and selective agonists.

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