4,7,8-Trichloroquinoline

Base Information

• Chemical Name: 4,7,8-Trichloroquinoline
• CAS No.: 17999-80-3
• Molecular Formula: C₉H₄Cl₃N
• Molecular Weight: 232.496
• Hs Code.: 2933499090
• European Community (EC) Number: 803-147-6
• DSSTox Substance ID: DTXSID40589021
• Wikidata: Q82482104
• Mol file: 17999-80-3.mol

Synonyms:4,7,8-Trichloroquinoline;17999-80-3;Quinoline, 4,7,8-trichloro-;SCHEMBL18283406;DTXSID40589021;MFCD09787696;4,7,8-Trichloroquinoline, AldrichCPR;AB52012;DB-241552;CS-0449029;G72157

Chemical Property of 4,7,8-Trichloroquinoline

Chemical Property:

• Vapor Pressure: 0.000345mmHg at 25°C
• Boiling Point: 329.2°C at 760 mmHg
• PKA: -0?+-.0.44(Predicted)
• Flash Point: 182.9°C
• PSA: 12.89000
• Density: 1.523g/cm³
• LogP: 4.19500
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 230.940932
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

4,7,8-Trichloroquinoline Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C2=NC=CC(=C21)Cl)Cl)Cl

Technology Process of 4,7,8-Trichloroquinoline

There total 3 articles about 4,7,8-Trichloroquinoline 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:

4,7-dichloro-[8]quinolylamine (500690-19-7) → 4,7,8-trichloroquinoline (17999-80-3)

Guidance literature:

With hydrogenchloride; copper; sodium nitrite;

DOI:10.1021/ja01211a030

Reference yield:

4,7-dichloroquinoline (86-98-6,1138471-54-1) → 4,7,8-trichloroquinoline (17999-80-3)

Guidance literature:

Multi-step reaction with 3 steps

1: concentrated sulfuric acid; nitric acid

2: Raney nickel; ethanol / 51485.6 Torr / Hydrogenation

3: aqueous hydrochloric acid; sodium nitrite; copper-powder

With hydrogenchloride; ethanol; sulfuric acid; nitric acid; nickel; copper; sodium nitrite;

DOI:10.1021/ja01211a030

Reference yield:

4,7-dichloro-8-nitro-quinoline (5330-86-9) → 4,7,8-trichloroquinoline (17999-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Raney nickel; ethanol / 51485.6 Torr / Hydrogenation

2: aqueous hydrochloric acid; sodium nitrite; copper-powder

With hydrogenchloride; ethanol; nickel; copper; sodium nitrite;

DOI:10.1021/ja01211a030

upstream raw materials:

4,7-dichloro-[8]quinolylamine

4,7-dichloroquinoline

4,7-dichloro-8-nitro-quinoline