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8-Bromo-3-(trifluoromethyl)quinoline is a quinoline derivative with the molecular formula C11H6BrF3N. It features a bromine atom and a trifluoromethyl group attached to the quinoline ring, which contributes to its unique structure and properties. This chemical compound is known for its potential in the development of new drugs and bioactive molecules, making it a valuable asset in organic synthesis and pharmaceutical research.

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  • 917251-86-6 Structure
  • Basic information

    1. Product Name: 8-Bromo-3-(trifluoromethyl)quinoline
    2. Synonyms: 8-Bromo-3-(trifluoromethyl)quinoline;Quinoline, 8-broMo-3-(trifluoroMethyl)-
    3. CAS NO:917251-86-6
    4. Molecular Formula: C10H5BrF3N
    5. Molecular Weight: 276.0526096
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 917251-86-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 301.343 °C at 760 mmHg
    3. Flash Point: 136.048 °C
    4. Appearance: /
    5. Density: 1.658 g/cm3
    6. Vapor Pressure: 0.002mmHg at 25°C
    7. Refractive Index: 1.573
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 8-Bromo-3-(trifluoromethyl)quinoline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 8-Bromo-3-(trifluoromethyl)quinoline(917251-86-6)
    12. EPA Substance Registry System: 8-Bromo-3-(trifluoromethyl)quinoline(917251-86-6)
  • 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: 917251-86-6(Hazardous Substances Data)

917251-86-6 Usage

Uses

Used in Pharmaceutical Research:
8-Bromo-3-(trifluoromethyl)quinoline is used as a building block in the development of new drugs and bioactive molecules. Its unique structure and properties make it a promising candidate for medicinal chemistry.
Used in Organic Synthesis:
8-Bromo-3-(trifluoromethyl)quinoline is used as a versatile compound in organic synthesis, where the bromine atom serves as a functional group for further chemical modifications, enhancing the compound's reactivity and applicability in various chemical reactions.
Used in Drug Development:
8-Bromo-3-(trifluoromethyl)quinoline is used as a valuable chemical in drug development due to the trifluoromethyl group, which can enhance the bioavailability and metabolic stability of drug molecules, improving their overall effectiveness and safety.

Check Digit Verification of cas no

The CAS Registry Mumber 917251-86-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,1,7,2,5 and 1 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 917251-86:
(8*9)+(7*1)+(6*7)+(5*2)+(4*5)+(3*1)+(2*8)+(1*6)=176
176 % 10 = 6
So 917251-86-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H5BrF3N/c11-8-3-1-2-6-4-7(10(12,13)14)5-15-9(6)8/h1-5H

917251-86-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-Bromo-3-(trifluoromethyl)quinoline

1.2 Other means of identification

Product number -
Other names Y6499

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:917251-86-6 SDS

917251-86-6Downstream Products

917251-86-6Relevant articles and documents

INHIBITORS OF JUN N-TERMINAL KINASE

-

Page/Page column 148, (2010/08/18)

The present disclosure provides inhibitors of c-Jun N-terminal kinases (JNK) having a structure according to the following formula (I): or a salt or solvate thereof, wherein ring A, Ca, Cb, Z, R5, W and Cy are defined herein. The disclosure further provides pharmaceutical compositions including the compounds of the present disclosure and methods of making and using the compounds and compositions of the present disclosure, e.g., in the treatment and prevention of various disorders, such as Alzheimer's disease.

The synthesis and biological evaluation of quinolyl-piperazinyl piperidines as potent serotonin 5-HT1A antagonists

Childers, Wayne E.,Havran, Lisa M.,Asselin, Magda,Bicksler, James J.,Chong, Dan C.,Grosu, George T.,Shen, Zhongqi,Abou-Gharbia, Magid A.,Bach, Alvin C.,Harrison, Boyd L.,Kagan, Natasha,Kleintop, Teresa,Magolda, Ronald,Marathias, Vasilios,Robichaud, Albert J.,Sabb, Annmarie L.,Zhang, Mei-Yi,Andree, Terrance H.,Aschmies, Susan H.,Beyer, Chad,Comery, Thomas A.,Day, Mark,Grauer, Steven M.,Hughes, Zoe A.,Rosenzweig-Lipson, Sharon,Platt, Brian,Pulicicchio, Claudine,Smith, Deborah E.,Sukoff-Rizzo, Stacy J.,Sullivan, Kelly M.,Adedoyin, Adedayo,Huselton, Christine,Hirst, Warren D.

experimental part, p. 4066 - 4084 (2010/08/06)

As part of an effort to identify 5-HT1A antagonists that did not possess typical arylalkylamine or keto/amido-alkyl aryl piperazine scaffolds, prototype compound 10a was identified from earlier work in a combined 5-HT 1A antagonist/SSRI program. This quinolyl-piperazinyl piperidine analogue displayed potent, selective 5-HT1A antagonism but suffered from poor oxidative metabolic stability, resulting in low exposure following oral administration. SAR studies, driven primarily by in vitro liver microsomal stability assessment, identified compound 10b, which displayed improved oral bioavailability and lower intrinsic clearance. Further changes to the scaffold (e.g., 10r) resulted in a loss in potency. Compound 10b displayed cognitive enhancing effects in a number of animal models of learning and memory, enhanced the antidepressant-like effects of the SSRI fluoxetine, and reversed the sexual dysfunction induced by chronic fluoxetine treatment.

Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor

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Page/Page column 53, (2010/11/25)

The present invention relates to novel piperazine-piperidine compounds. The compounds are useful as 5-HT1A binding agents, particularly as 5-HT1A receptor antagonists and agonists. These compounds are useful in treating central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction.

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