18706-25-7

• 

• Basic information

  1. Product Name: 4-bromo-2-(trifluoromethyl)quinoline
  2. Synonyms: 4-bromo-2-(trifluoromethyl)quinoline;2-TrifluoroMethyl-4-broMoquinoline;4-Bromo-2-(trifluoromethyl)-1-azanaphthalene
  3. CAS NO:18706-25-7
  4. Molecular Formula: C₁₀H₅BrF₃N
  5. Molecular Weight: 276.06
  6. EINECS: N/A
  7. Product Categories: CHIRAL CHEMICALS
  8. Mol File: 18706-25-7.mol
  9. Article Data: 3

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 268.929 °C at 760 mmHg
  3. Flash Point: 116.445 °C
  4. Appearance: liquid
  5. Density: 1.658
  6. Vapor Pressure: 0.012mmHg at 25°C
  7. Refractive Index: 1.573
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. PKA: -1.38±0.50(Predicted)
  11. CAS DataBase Reference: 4-bromo-2-(trifluoromethyl)quinoline(CAS DataBase Reference)
  12. NIST Chemistry Reference: 4-bromo-2-(trifluoromethyl)quinoline(18706-25-7)
  13. EPA Substance Registry System: 4-bromo-2-(trifluoromethyl)quinoline(18706-25-7)

• 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: 18706-25-7(Hazardous Substances Data)

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18706-25-7 Usage

General Description

4-bromo-2-(trifluoromethyl)quinoline is a chemical compound with the molecular formula C10H5BrF3N. It is a quinoline derivative, which is a type of heterocyclic aromatic organic compound. 4-bromo-2-(trifluoromethyl)quinoline contains a bromine atom and a trifluoromethyl group attached to the quinoline ring. It is commonly used in organic synthesis and pharmaceutical research, and it may have potential utility as a building block for the development of new drugs or agrochemicals. The presence of the bromine and trifluoromethyl groups on the quinoline structure can impart specific chemical and pharmacological properties, making this compound of interest to researchers in the field of medicinal chemistry and drug discovery.

Check Digit Verification of cas no

The CAS Registry Mumber 18706-25-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,7,0 and 6 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 18706-25:
(7*1)+(6*8)+(5*7)+(4*0)+(3*6)+(2*2)+(1*5)=117
117 % 10 = 7
So 18706-25-7 is a valid CAS Registry Number.

InChI:InChI=1/C10H5BrF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H

18706-25-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name	4-Bromo-2-(trifluoromethyl)quinoline

1.2 Other means of identification

Product number	-
Other names	4-bromo-2-(trifluoromethyl)quinoline

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:18706-25-7 SDS

18706-25-7Upstream product

• 1701-18-4 2-(trifluoromethyl)quinolin-4-ol 
• 20151-40-0 2,4-dibromoquinoline 
• 62-53-3 aniline 
• 83842-55-1 2‐(trifluoromethyl)quinolin‐4(1H)‐one 

18706-25-7Downstream Products

• 18706-26-8 2-(trifluoromethyl)-4-cyanoquinoline 
• 1242063-02-0 tert-butyl 4-{(1R)-1-[(R)-[(2-trifluoromethylquinolin-4-yl)oxy](4-chlorophenyl)methyl]butyl}benzoate 
• 260972-16-5 α-Phenyl-2-trifluoromethyl-4-quinolinemethanol 
• 587886-19-9 4-bromo-2-trifluoromethyl-3-quinolinecarboxylic acid methyl ester 
• 587886-26-8 2-trifluoromethyl-3-quinolinecarboxylic acid 
• 587886-11-1 4-bromo-2-trifluoromethyl-3-quinolinecarboxylic acid 
• 18706-39-3 2-(trifluoromethyl)quinoline-4-carboxylic acid 
• 78946-17-5 2-trifluoromethyl-4-quinolinecarboxaldehyde 

18706-25-7Relevant articles and documents

Preparation method of quinolone derivate

-

Paragraph 0020; 0021; 0022, (2018/07/30)

The invention discloses a preparation method of a quinolone derivate 1-(2-(trifluoromethyl) quinolone-4-gruop) ethylamine. The method is characterized in that 2-(trifluoromethyl) quinolone-4-alcohol is used as the initial raw material and is subjected to bromination, cyaniding, grignard reaction and amination reduction to obtain a target product. The compound is an important intermediate of a medicine.

Selective and efficient structural elaboration of 2-(trifluoromethyl)quinolinones

Marull, Marc,Schlosser, Manfred

, p. 1576 - 1588 (2007/10/03)

The acid-catalyzed cyclization-condensation between anilines and ethyl 4,4,4-trifluoroacetoacetate affords 1,4-dihydro-2-trifluoromethyl-4H-4-quinolinones (1), which can easily be converted into 4-bromo-2-(trifluoromethyl)quinolines. These undergo halogen/metal exchange, generating 2-trifluoromethyl-4-quinolyllithiums, when treated with butyllithium, and hydrogen/metal exchange, generating 4-bromo-2-trifluoromethyl-3-quinolyllithiums, when treated with lithium diisopropylamide. Trapping of the latter intermediates provides 3-functionalized products that may be further elaborated by electrophilic substitution of the bromine atom. A few unexpected findings resulted from these investigations, the most noteworthy being an unprecedented buttressing effect and a counterintuitive halogen reactivity. ( Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

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