7-Bromoquinoline

Base Information

• Chemical Name: 7-Bromoquinoline
• CAS No.: 4965-36-0
• Molecular Formula: C9H6BrN
• Molecular Weight: 208.057
• Hs Code.: 29334900
• European Community (EC) Number: 689-306-9
• DSSTox Substance ID: DTXSID40334593
• Nikkaji Number: J148.022G
• Wikidata: Q72512470
• Pharos Ligand ID: K5UYK6M12US1
• ChEMBL ID: CHEMBL1372028
• Mol file: 4965-36-0.mol

Synonyms:7-bromoquinoline;4965-36-0;Quinoline, 7-bromo-;MFCD03695823;7-bromo-quinoline;SMR000162690;7-Bromoquinoline, AldrichCPR;MLS000543458;SCHEMBL440439;CHEMBL1372028;DTXSID40334593;HMS2292N05;BCP08383;BBL102656;STL556460;AKOS005256285;AB15717;AC-1472;CS-W004432;PS-8053;BL002815;SY017164;AM20080861;B4155;FT-0645215;EN300-98778;J-519177

Chemical Property of 7-Bromoquinoline

Chemical Property:

• Appearance/Colour: Light yellow solid
• Vapor Pressure: 0.0037mmHg at 25°C
• Melting Point: 32-36℃
• Refractive Index: 1.673
• Boiling Point: 290 °C at 760 mmHg
• PKA: 3.36±0.14(Predicted)
• Flash Point: 132.8 °C
• PSA: 12.89000
• Density: 1.564 g/cm³
• LogP: 2.99730
• Storage Temp.: 0-10°C
• Solubility.: soluble in Toluene
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.96836
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

7-Bromoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2)Br)N=C1

Technology Process of 7-Bromoquinoline

There total 3 articles about 7-Bromoquinoline 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:

N-(3-bromo-phenyl)-N-(3-oxo-propyl)-methanesulfonamide (333383-82-7) → 7-bromoquinoline (4965-36-0) + 5-bromoquinoline (4964-71-0)

Guidance literature:

N-(3-bromo-phenyl)-N-(3-oxo-propyl)-methanesulfonamide; With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; for 0.166667h;

With potassium hydroxide; In dimethyl sulfoxide; at 80 ℃;

Reference yield:

N-(3-bromo-phenyl)-4-methyl-N-(3-oxo-propyl)-benzenesulfonamide (333383-83-8) → 7-bromoquinoline (4965-36-0) + 5-bromoquinoline (4964-71-0)

Guidance literature:

N-(3-bromo-phenyl)-4-methyl-N-(3-oxo-propyl)-benzenesulfonamide; With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; for 0.166667h;

With potassium hydroxide; In dimethyl sulfoxide; at 140 ℃;

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + m-Bromoaniline (591-19-5) → 7-bromoquinoline (4965-36-0) + 5-bromoquinoline (4964-71-0)

Guidance literature:

With sulfuric acid; nitrobenzene;

upstream raw materials:

glycerol

m-Bromoaniline

N-(3-bromo-phenyl)-N-(3-oxo-propyl)-methanesulfonamide

N-(3-bromo-phenyl)-4-methyl-N-(3-oxo-propyl)-benzenesulfonamide

Downstream raw materials:

7-phenoxy-quinoline

N,N-dimethylquinolin-7-amine

7-methoxyquinoline

7-bromo-quinolin-2-ol