2-Chloro-7-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 2-Chloro-7-(trifluoromethyl)quinoline
• CAS No.: 83183-56-6
• Molecular Formula: C10H5ClF3N
• Molecular Weight: 231.605
• European Community (EC) Number: 868-491-1
• DSSTox Substance ID: DTXSID50547753
• Wikidata: Q82426185
• Mol file: 83183-56-6.mol

Synonyms:2-CHLORO-7-(TRIFLUOROMETHYL)QUINOLINE;83183-56-6;MFCD11557207;C10H5ClF3N;SCHEMBL1721228;DTXSID50547753;AKOS023554330;SB68937;2-chloro-7-(trifluoroMethyl) quinoline;AS-42259;SY037838;CS-0134704;EN300-5552401

Chemical Property of 2-Chloro-7-(trifluoromethyl)quinoline

Chemical Property:

• Boiling Point: 275.4±35.0 °C(Predicted)
• PKA: -2.06±0.50(Predicted)
• PSA: 12.89000
• Density: 1.427±0.06 g/cm3(Predicted)
• LogP: 3.90700
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 231.0062613
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-7-(trifluoromethyl)quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CC(=N2)Cl)C(F)(F)F

Technology Process of 2-Chloro-7-(trifluoromethyl)quinoline

There total 5 articles about 2-Chloro-7-(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: 91.0%

7-(trifluoromethyl)quinolin-2(1H)-one (1011533-24-6) → 2-chloro-7-(trifluoromethyl)quinoline (83183-56-6)

Guidance literature:

With trichlorophosphate; at 110 ℃;

DOI:10.1016/j.bmcl.2007.11.075

Reference yield: 85.0%

→ 2-chloro-7-(trifluoromethyl)quinoline (83183-56-6)

Guidance literature:

With trichlorophosphate; at 120 ℃; for 1h;

Reference yield: 25.4%

7-(trifluoromethyl)quinolin-2-ol (1011533-24-6) → 2-chloro-7-(trifluoromethyl)quinoline (83183-56-6)

Guidance literature:

With trichlorophosphate; for 3h; Reflux;

upstream raw materials:

7-(trifluoromethyl)quinolin-2(1H)-one

2-Bromo-5-trifluoromethylaniline

(E)-methyl 3-(2-amino-4-(trifluoromethyl)phenyl)acrylate

7-(trifluoromethyl)quinolin-2-ol

Downstream raw materials:

C₂₅H₂₆F₃N₃O₃

2-amino-7-(trifluoromethyl)quinoline