4,6,8-Trichloroquinazoline

Base Information

• Chemical Name: 4,6,8-Trichloroquinazoline
• CAS No.: 19815-21-5
• Molecular Formula: C₈H₃Cl₃N₂
• Molecular Weight: 233.484
• Hs Code.: 2933990090
• NSC Number: 64691
• DSSTox Substance ID: DTXSID00289818
• Wikidata: Q72510436
• Mol file: 19815-21-5.mol

Synonyms:4,6,8-trichloroquinazoline;19815-21-5;NSC64691;SCHEMBL859088;DTXSID00289818;NSC-64691;AKOS000122332;AB26749;CS-0220764;EN300-07506;Z119989516

Chemical Property of 4,6,8-Trichloroquinazoline

Chemical Property:

• Vapor Pressure: 0.000182mmHg at 25°C
• Boiling Point: 339.3°Cat760mmHg
• Flash Point: 189.5°C
• PSA: 25.78000
• Density: 1.6g/cm³
• LogP: 3.59000
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 231.936181
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

98%min ^*data from raw suppliers

4,6,8-Trichloroquinazoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1C(=NC=N2)Cl)Cl)Cl

Technology Process of 4,6,8-Trichloroquinazoline

There total 4 articles about 4,6,8-Trichloroquinazoline 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: 67.0%

6,8-dichloroquinazolin-4(3H)-one (6952-11-0) → 4,6,8‐trichloroquinazoline (19815-21-5)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide;

DOI:10.1002/jhet.3743

Reference yield:

3,5-dichloroantranilic acid (2789-92-6) → 4,6,8‐trichloroquinazoline (19815-21-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 77.8 percent / Heating

2: 15.3 percent / PCl₅; POCl₃ / 24 h / Heating

With phosphorus pentachloride; trichlorophosphate;

DOI:10.3390/11040272

Reference yield:

6,8-dichloro-4-hydroxyquinazoline (6952-11-0) → 4,6,8‐trichloroquinazoline (19815-21-5)

Guidance literature:

With phosphorus pentachloride; In trichlorophosphate; for 2h; Heating;

DOI:10.1515/znb-1982-0724

upstream raw materials:

6,8-dichloroquinazolin-4(3H)-one

6,8-dichloro-4-hydroxyquinazoline

3,5-dichloroantranilic acid