4,5-Dichloro-2-(3-chloro-4-fluorophenyl)pyridazin-3(2H)-one

Base Information

• Chemical Name: 4,5-Dichloro-2-(3-chloro-4-fluorophenyl)pyridazin-3(2H)-one
• CAS No.: 72396-65-7
• Molecular Formula: C10H4Cl3FN2O
• Molecular Weight: 293.512
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10371450
• Nikkaji Number: J2.389.626E
• Wikidata: Q82158782
• ChEMBL ID: CHEMBL4583699
• Mol file: 72396-65-7.mol

Synonyms:72396-65-7;4,5-Dichloro-2-(3-chloro-4-fluorophenyl)pyridazin-3(2H)-one;4,5-dichloro-2-(3-chloro-4-fluorophenyl)pyridazin-3-one;2-(3-Chloro-4-fluorophenyl)-4,5-dichloro-pyridazine-3-(2H)-one;4,5-dichloro-2-(3-chloro-4-fluorophenyl)-3-pyridazinone;2-(3-Chloro-4-fluorophenyl)-4,5-dichloropyridazine-3(2H)-one;4,5-Dichloro-2-(3-chloro-4-fluorophenyl)-2,3-dihydropyridazin-3-one;2-(3-Carboxylmethyl-4-nitrophenyl)propionic acid;CHEMBL4583699;DTXSID10371450;MFCD00067783;AKOS024388184;FT-0608541;A837515;J-514077;2-(3-Chloro-4-fluorophenyl)-4,5-dichloro-pyridazine-3-(2H)one;2-(3-Chloro-4-fluorophenyl)-4,5-dichloro-2,3-dihydropyridazine-3-one;4,5-bis(chloranyl)-2-(3-chloranyl-4-fluoranyl-phenyl)pyridazin-3-one;2-(3-Chloro-4-Fluorophenyl)-4,5-Dichloropyridazine-3-(2H)-One [72396-65-7]

Chemical Property of 4,5-Dichloro-2-(3-chloro-4-fluorophenyl)pyridazin-3(2H)-one

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Melting Point: 201 °C
• Refractive Index: 1.641
• Boiling Point: 370.1°C at 760 mmHg
• PKA: -4.52±0.60(Predicted)
• Flash Point: 177.6°C
• PSA: 34.89000
• Density: 1.62g/cm³
• LogP: 3.33180
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 291.937324
• Heavy Atom Count: 17
• Complexity: 399

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-CHLORO-4-FLUOROPHENYL)-4,5-DICHLORO-PYRIDAZINE-3-(2H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N2C(=O)C(=C(C=N2)Cl)Cl)Cl)F

Technology Process of 4,5-Dichloro-2-(3-chloro-4-fluorophenyl)pyridazin-3(2H)-one

There total 3 articles about 4,5-Dichloro-2-(3-chloro-4-fluorophenyl)pyridazin-3(2H)-one 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: 90.0%

mucochloric acid (87-56-9) + 3-chloro-4-fluorophenyl hydrazine (84282-78-0) → 2-(3-chloro-4-fluorophenyl)-4,5-dichloropyridazin-3-one (72396-65-7)

Guidance literature:

With methanesulfonic acid; In ethanol; at 25 ℃; for 2h; Reflux;

DOI:10.1002/ardp.201400442

Reference yield:

Mucochloric acid (766-40-5) + 3-chloro-4-fluorophenylamine (367-21-5) → 2-(3-chloro-4-fluorophenyl)-4,5-dichloropyridazin-3-one (72396-65-7)

Guidance literature:

3-chloro-4-fluorophenylamine; With hydrogenchloride; sodium nitrite; In water; at -5 - 0 ℃; for 0.5h;

With hydrogenchloride; tin(ll) chloride; In water; at 0 ℃; for 2h;

Mucochloric acid; In water; at 80 - 90 ℃;

DOI:10.1016/j.tetlet.2006.10.009

Reference yield:

→ 2-(3-chloro-4-fluorophenyl)-4,5-dichloropyridazin-3-one (72396-65-7)

Guidance literature:

upstream raw materials:

Mucochloric acid

3-chloro-4-fluorophenylamine

mucochloric acid

3-chloro-4-fluorophenyl hydrazine

Refernces

• 1、 Zhang, Ji,Morton, Howard E.,Ji, Jianguo. "Confirmation and prevention of halogen exchange: practical and highly efficient one-pot synthesis of dibromo- and dichloropyridazinones". . p. 8733 - 8735. Retrieved 2007/10/03.