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Quinoline, 8-bromo-2-(trifluoromethyl)-, is a chemical compound with the molecular formula C10H6BrF3N. It is a derivative of quinoline, a heterocyclic compound commonly found in coal tar. The addition of a bromine atom and a trifluoromethyl group to the quinoline structure endows this compound with unique chemical and physical properties, making it a versatile building block for the synthesis of pharmaceuticals, agrochemicals, and materials. Its structural features and potential applications make it of interest for further research and development in various industries.

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  • 176722-63-7 Structure
  • Basic information

    1. Product Name: Quinoline, 8-bromo-2-(trifluoromethyl)-
    2. Synonyms: Quinoline, 8-bromo-2-(trifluoromethyl)-;8-broMo-2-(trifluoroMethyl)-;8-broMo-2-(trifluoroMethyl)quinoline,Quinoline
    3. CAS NO:176722-63-7
    4. Molecular Formula: C10H5BrF3N
    5. Molecular Weight: 276
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 176722-63-7.mol
  • Chemical Properties

    1. Melting Point: 62-63 °C(Solv: pentane (109-66-0); pentane (109-66-0))
    2. Boiling Point: 284.3°C at 760 mmHg
    3. Flash Point: 125.7°C
    4. Appearance: /
    5. Density: 1.658g/cm3
    6. Vapor Pressure: 0.00515mmHg at 25°C
    7. Refractive Index: 1.573
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: -2.42±0.50(Predicted)
    11. CAS DataBase Reference: Quinoline, 8-bromo-2-(trifluoromethyl)-(CAS DataBase Reference)
    12. NIST Chemistry Reference: Quinoline, 8-bromo-2-(trifluoromethyl)-(176722-63-7)
    13. EPA Substance Registry System: Quinoline, 8-bromo-2-(trifluoromethyl)-(176722-63-7)
  • 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: 176722-63-7(Hazardous Substances Data)

176722-63-7 Usage

Uses

Used in Pharmaceutical Industry:
Quinoline, 8-bromo-2-(trifluoromethyl)is used as a building block for the synthesis of pharmaceuticals due to its unique chemical and physical properties. The presence of the bromine and trifluoromethyl groups can impart specific biological activities to the resulting compounds, making them potential candidates for the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, quinoline, 8-bromo-2-(trifluoromethyl)is used as a precursor for the synthesis of agrochemicals. Quinoline, 8-bromo-2-(trifluoromethyl)-'s structural features can be utilized to create new agrochemicals with improved efficacy and selectivity, contributing to more sustainable agricultural practices.
Used in Materials Science:
Quinoline, 8-bromo-2-(trifluoromethyl)is used as a building block in the development of new materials with unique properties. Quinoline, 8-bromo-2-(trifluoromethyl)-'s structural features can be incorporated into various materials, such as polymers, to enhance their performance in specific applications, such as electronics, coatings, or sensors.
Used in Research and Development:
Quinoline, 8-bromo-2-(trifluoromethyl)is used as a research compound for further exploration of its chemical and physical properties. Its unique structure and potential applications make it an interesting subject for academic and industrial research, with the aim of discovering new uses and applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 176722-63-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,6,7,2 and 2 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 176722-63:
(8*1)+(7*7)+(6*6)+(5*7)+(4*2)+(3*2)+(2*6)+(1*3)=157
157 % 10 = 7
So 176722-63-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H5BrF3N/c11-7-3-1-2-6-4-5-8(10(12,13)14)15-9(6)7/h1-5H

176722-63-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-Bromo-2-(trifluoromethyl)quinoline

1.2 Other means of identification

Product number -
Other names PC9226

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:176722-63-7 SDS

176722-63-7Relevant articles and documents

Recommendable routes to trifluoromethyl-substituted pyridine- and quinolinecarboxylic acids

Cottet, Fabrice,Marull, Marc,Lefebvre, Olivier,Schlosser, Manfred

, p. 1559 - 1568 (2007/10/03)

As part of a case study, rational strategies for the preparation of all ten 2-, 3-, or 4-pyridinecarboxylic acids and all nine 2-, 3-, 4-, or 8-quinolinecarboxylic acids bearing trifluoromethyl substituents at the 2-, 3-, or 4-position were elaborated. The trifluoromethyl group, if not already present in the precursor, was introduced either by the deoxygenative fluorination of suitable carboxylic acids with sulfur tetrafluoride or by the displacement of ring-bound bromine or iodine by trifluoromethylcopper generated in situ. The carboxy function was produced by treatment of organolithium or organomagnesium intermediates, products of halogen/metal or hydrogen/ metal permutation, with carbon dioxide. ( Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

Aromatic quinolinecarboxamides as selective, orally active antibody production inhibitors for prevention of acute xenograft rejection

Papageorgiou,Von Matt,Joergensen,Andersen,Wagner,Beerli,Than,Borer,Florineth,Rihs,Schreier,Weckbecker,Heusser

, p. 1986 - 1992 (2007/10/03)

The prevention of xenograft rejection is substantially dependent on inhibiting antibodies (Ab) produced by B-cells independently of T-cell signals (TI-1). Due to their ubiquitous biochemical mechanisms of action, the immunosuppressants currently employed

2-(trifluoromethyl)quinolines from anilines: A novel mode of isomerization and cyclization

Keller,Schlosser

, p. 4637 - 4644 (2007/10/03)

Deprotonation of N-ethylidene-tert-butylamine with lithium diisopropylamide and subsequent condensation with ethyl trifluoroacetate gives 4-tert-butylamino-1,1,1-trifluorobut-3-en-2-one. An exchange of the amino substituent occurs when the latter compound

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