3,7,8-Trichloro-2-methylquinoline

Base Information

• Chemical Name: 3,7,8-Trichloro-2-methylquinoline
• CAS No.: 84086-96-4
• Molecular Formula: C10H6 Cl3 N
• Molecular Weight: 246.523
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID30693020
• Wikidata: Q82622049
• Mol file: 84086-96-4.mol

Synonyms:3,7,8-trichloro-2-methylquinoline;84086-96-4;DTXSID30693020

Chemical Property of 3,7,8-Trichloro-2-methylquinoline

Chemical Property:

• Boiling Point: 348.3±37.0 °C(Predicted)
• PKA: 0.04±0.42(Predicted)
• PSA: 12.89000
• Density: 1.464±0.06 g/cm3(Predicted)
• LogP: 4.50340
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 244.956582
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C2C=CC(=C(C2=N1)Cl)Cl)Cl

Technology Process of 3,7,8-Trichloro-2-methylquinoline

There total 2 articles about 3,7,8-Trichloro-2-methylquinoline 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: 93.0%

7-Chloro-8-methylquinoline (78941-93-2) + 1,2-dichloro-benzene (95-50-1) → 3,7-dichloro-8-chloromethyl quinoline (84086-96-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); chlorine;

Reference yield:

→ 3,7-dichloro-8-chloromethyl quinoline (84086-96-4)

Guidance literature:

Reference yield: 96.2%

3,7-dichloro-8-chloromethyl quinoline (84086-96-4) + acetic acid (64-19-7,77671-22-8) → 3,7-dichloro-quinoline-8-carboxylic acid (84087-01-4,113875-40-4)

Guidance literature:

With hydrogen bromide; manganese (II) acetate tetrahydrate; cobalt(II) diacetate tetrahydrate; at 150 ℃; for 4.2h; under 7500.75 - 12001.2 Torr; Concentration;

upstream raw materials:

7-Chloro-8-methylquinoline

1,2-dichloro-benzene

Downstream raw materials:

3,7-dichloro-8-p-chlorophenoxymethylquinoline

3,7-dichloro-quinoline-8-carboxylic acid

Refernces

• 1、 -. "Dichloroquinoline derivatives for use as herbicides". . . Retrieved 2008/06/13.