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2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID is a chemical compound characterized by a nicotinic acid backbone, featuring a hydroxyl group at the 2nd position and a trifluoromethyl group at the 6th position. This unique structure endows it with properties that make it a valuable building block in the synthesis of pharmaceuticals and agrochemicals. Its ability to chelate metal ions and its potential antioxidant and anti-inflammatory properties render it a promising candidate for research in medicinal chemistry and drug development.

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  • 191595-63-8 Structure
  • Basic information

    1. Product Name: 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID
    2. Synonyms: 3-carboxyl-6-trifluoromethyl-1H-pyridin-2-one;2-Hydroxy-6-triflroromethylnicotinic acid;2-Hydroxy-6-(trifluoromethyl)nicotinic acid;2-Hydroxy-6-triflroroMethyl-3-pyridinecarboxylic acid;2-Hydroxy-6-(trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-2-hydroxy-6-(trifluoromethyl)pyridine;2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid;2-Hydroxy-6-(trifluromethyl)nicotinicacid
    3. CAS NO:191595-63-8
    4. Molecular Formula: C7H4F3NO3
    5. Molecular Weight: 207.11
    6. EINECS: 1312995-182-4
    7. Product Categories: Carboxylic Acids;Pyridines;Carboxylic Acids;carboxylic acid
    8. Mol File: 191595-63-8.mol
  • Chemical Properties

    1. Melting Point: 165-167°C
    2. Boiling Point: 372.484 °C at 760 mmHg
    3. Flash Point: 179.072 °C
    4. Appearance: /
    5. Density: 1.629 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.512
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID(191595-63-8)
    12. EPA Substance Registry System: 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID(191595-63-8)
  • 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: 191595-63-8(Hazardous Substances Data)

191595-63-8 Usage

Uses

Used in Pharmaceutical Synthesis:
2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID is used as a key intermediate in the synthesis of various pharmaceuticals due to its unique structural features that facilitate the creation of new drug molecules with potential therapeutic applications.
Used in Agrochemical Development:
In the agrochemical industry, 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID is utilized as a building block for the development of new agrochemicals, leveraging its structural properties to enhance crop protection and yield.
Used in Medicinal Chemistry Research:
2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID is employed as a subject of study in medicinal chemistry for its potential antioxidant and anti-inflammatory properties, with the aim of discovering new therapeutic agents that can address various health conditions.
Used in Drug Development:
As a compound with demonstrated chelating capabilities, 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID is used in drug development to explore its potential in creating medications that can target metal ion imbalances associated with certain diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 191595-63-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,1,5,9 and 5 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 191595-63:
(8*1)+(7*9)+(6*1)+(5*5)+(4*9)+(3*5)+(2*6)+(1*3)=168
168 % 10 = 8
So 191595-63-8 is a valid CAS Registry Number.
InChI:InChI=1/C7H4F3NO3/c8-7(9,10)4-2-1-3(6(13)14)5(12)11-4/h1-2H,(H,11,12)(H,13,14)

191595-63-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic 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:191595-63-8 SDS

191595-63-8Relevant articles and documents

A tautomeric ligand enables directed C-H hydroxylation with molecular oxygen

Li, Zhen,Wang, Zhen,Chekshin, Nikita,Qian, Shaoqun,Qiao, Jennifer X.,Cheng, Peter T.,Yeung, Kap-Sun,Ewing, William R.,Yu, Jin-Quan

, p. 1452 - 1457 (2021/06/30)

Hydroxylation of aryl carbon-hydrogen bonds with transition metal catalysts has proven challenging when oxygen is used as the oxidant. Here, we report a palladium complex bearing a bidentate pyridine/ pyridone ligand that efficiently catalyzes this reaction at ring positions adjacent to carboxylic acids. Infrared, x-ray, and computational analysis support a possible role of ligand tautomerization from monoanionic (L,X) to neutral (L,L) coordination in the catalytic cycle of aerobic carbon-hydrogen hydroxylation reaction. The conventional site selectivity dictated by heterocycles is overturned by this catalyst, thus allowing late-stage modification of compounds of pharmaceutical interest at previously inaccessible sites.

GHRELIN O-ACYLTRANSFERASE INHIBITORS

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Page/Page column 67; 68, (2019/08/26)

This invention relates to novel compounds according to Formula (I) which are inhibitors of ghrelin O-acyltransferase (GOAT), to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy for the treatment

PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE

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Page/Page column 19, (2008/12/04)

Compounds of the formula (I), or salts thereof, in which R1 to R4 are as defined in formula (I) of claim 1 are suitable as useful-plant-protecting agents for reducing or preventing harmful effects of agrochemicals on the useful plants and their method of preparation are described.

ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS

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Page/Page column 82, (2008/06/13)

Certain novel N-acylated spiropiperidine derivatives are ligands of the human melanocortin receptor(s) and, in particular, are selective ligands of the human melanocortin-4 receptor (MC-4R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the modulation of MC-4R, such as obesity, diabetes, nicotine addiction, alcoholism, sexual dysfunction, including erectile dysfunction and female sexual dysfunction.

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