3,4-Dichloroquinoline

Base Information

• Chemical Name: 3,4-Dichloroquinoline
• CAS No.: 25836-11-7
• Molecular Formula: C9H5Cl2N
• Molecular Weight: 198.051
• DSSTox Substance ID: DTXSID40485175
• Nikkaji Number: J88.403K
• Mol file: 25836-11-7.mol

Synonyms:3,4-Dichloroquinoline;25836-11-7;Quinoline, 3,4-dichloro-;DTXSID40485175;MFCD13192940;ZB0075;AKOS025287462;SB68156;CS-0359663;FT-0701749

Chemical Property of 3,4-Dichloroquinoline

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 69-70 °C
• Boiling Point: 277.998oC at 760 mmHg
• PKA: 1.13±0.24(Predicted)
• Flash Point: 148.614oC
• PSA: 12.89000
• Density: 1.408g/cm3
• LogP: 3.54160
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.9799046
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%Min ^*data from raw suppliers

3,4-Dichloroquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(C=N2)Cl)Cl

Technology Process of 3,4-Dichloroquinoline

There total 6 articles about 3,4-Dichloroquinoline 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: 28.0%

chloroform (67-66-3,8013-54-5) + N-methylaniline (100-61-8) → 2-Chloroquinoline (612-62-4) + 3-chloroquinoline (612-59-9) + 3-chloroisoquinoline (19493-45-9) + 3,4-dichloroquinoline (25836-11-7)

Guidance literature:

at 550 ℃; Further byproducts given;

Reference yield: 28.0%

chloroform (67-66-3,8013-54-5) + N-methylaniline (100-61-8) → 2-Chloroquinoline (612-62-4) + 3-chloroisoquinoline (19493-45-9) + 3,4-dichloroquinoline (25836-11-7) + benzonitrile (100-47-0)

Guidance literature:

at 550 ℃; Yield given. Further byproducts given;

Reference yield: 24.0%

chloroform (67-66-3,8013-54-5) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → quinoline (91-22-5) + 2-Chloroquinoline (612-62-4) + 3-chloroquinoline (612-59-9) + 3,4-dichloroquinoline (25836-11-7)

Guidance literature:

at 550 ℃; Further byproducts given;

upstream raw materials:

chloroform

N,N-dimethyl-aniline

N-methylaniline

ethyl 4-hydroxyquinoline-2-carboxylate

Downstream raw materials:

dimethylsulfide

3,4-di-(methylsulfanyl)quinoline

C₉H₇NS₂

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