4-Bromo-2,8-bis(trifluoromethyl)quinoline

Base Information

• Chemical Name: 4-Bromo-2,8-bis(trifluoromethyl)quinoline
• CAS No.: 35853-45-3
• Molecular Formula: C11H4 Br F6 N
• Molecular Weight: 344.054
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60399008
• Nikkaji Number: J2.126.740F
• Wikidata: Q72447256
• Mol file: 35853-45-3.mol

Synonyms:4-Bromo-2,8-bis(trifluoromethyl)quinoline;35853-45-3;2,8-Bis(trifluoromethyl)-4-bromoquinoline;CC-PMLSC-DMA-P108;Quinoline, 4-bromo-2,8-bis(trifluoromethyl)-;MFCD00075340;C11H4BrF6N;4-bromo-2,8-bistrifluoromethylquinoline;SCHEMBL2790491;BDBM35448;cid_4071242;DTXSID60399008;AKOS015853172;AB02869;AS-18318;SY023885;CS-0155815;FT-0610759;2,8-bis-(trifluoromethyl)-4-bromo-quinoline;4-bromanyl-2,8-bis(trifluoromethyl)quinoline;A823000;W-202474

Chemical Property of 4-Bromo-2,8-bis(trifluoromethyl)quinoline

Chemical Property:

• Vapor Pressure: 0.00603mmHg at 25°C
• Melting Point: 62-64 °C(lit.)
• Refractive Index: 1.51
• Boiling Point: 281.6°Cat760mmHg
• PKA: -3.67±0.50(Predicted)
• Flash Point: 124.1°C
• PSA: 12.89000
• Density: 1.72g/cm³
• LogP: 5.03490
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 342.94313
• Heavy Atom Count: 19
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2,8-bis(trifluoromethyl)quinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Br)C(F)(F)F

Technology Process of 4-Bromo-2,8-bis(trifluoromethyl)quinoline

There total 3 articles about 4-Bromo-2,8-bis(trifluoromethyl)quinoline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

2,8-bis(trifluoromethyl)quinolin-4-ol (35853-41-9) → (2,8-bis-trifluoromethyl)-4-bromoquinoline (35853-45-3)

Guidance literature:

With phosphorus(V) oxybromide;

DOI:10.3390/ph12020091

Reference yield: 80.0%

2,8-bis(trifluoromethyl)quinolin-4-yl 4-methylbenzenesulfonate (150785-70-9) → (2,8-bis-trifluoromethyl)-4-bromoquinoline (35853-45-3)

Guidance literature:

With phosphorus; bromine; In acetic acid; at 25 ℃; for 4h;

DOI:10.1007/s00706-007-0772-5

Reference yield:

→ (2,8-bis-trifluoromethyl)-4-bromoquinoline (35853-45-3)

Guidance literature:

2,8-Bis(trifluormethyl)-4-chinolin (5a), POBr3;

DOI:10.1021/jm00292a008

upstream raw materials:

2,8-bis(trifluoromethyl)quinolin-4-yl 4-methylbenzenesulfonate

2,8-bis(trifluoromethyl)quinolin-4-ol

Downstream raw materials:

2,8-bis(trifluoromethyl)-4-vinylquinoline

1-(2,8-bistrifluoromethylquinolin-4-yl)-N'-(4-phenylbenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

1-(2,8-bistrifluoromethylquinolin-4-yl)-N'-(2-nitro-3,4-dimethoxybenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

C₂₂H₁₃F₆N₇O₃