3-Chloro-4-phenylpyridazine

Base Information

• Chemical Name: 3-Chloro-4-phenylpyridazine
• CAS No.: 86663-07-2
• Molecular Formula: C10H7ClN2
• Molecular Weight: 190.62900
• DSSTox Substance ID: DTXSID10545533
• Wikidata: Q82423062
• Mol file: 86663-07-2.mol

Synonyms:3-Chloro-4-phenylpyridazine;86663-07-2;4-phenyl-3-chloropyridazine;SCHEMBL25274620;DTXSID10545533;MFCD22381645;AT33272;SB11588;CS-0183203

Chemical Property of 3-Chloro-4-phenylpyridazine

Chemical Property:

• Melting Point: 110-111 °C(Solv: hexane (110-54-3))
• Boiling Point: 357.4±30.0 °C(Predicted)
• PKA: 0.65±0.10(Predicted)
• PSA: 25.78000
• Density: 1.245±0.06 g/cm3(Predicted)
• LogP: 2.79700
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.0297759
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-phenylpyridazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-4-phenylpyridazine

There total 3 articles about 3-Chloro-4-phenylpyridazine 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: 94.0%

4-phenyl-2,3-dihydropyridazin-3-one (98441-29-3) → 4-Phenyl-3-chloropyridazine (86663-07-2)

Guidance literature:

With pyridine; trichlorophosphate; at 110 ℃; for 2h;

DOI:10.1016/S0040-4020(01)82400-5

Reference yield:

4-Phenyl-3,6-dioxo-1,2,3,6-tetrahydropyridazine (41373-90-4) → 4-Phenyl-3-chloropyridazine (86663-07-2)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃ / 1 h / Heating

2: 16 percent / sodium acetate, hydrogen / 10percent palladium on carbon / ethanol / Ambient temperature

With hydrogen; sodium acetate; trichlorophosphate; palladium on activated charcoal; In ethanol;

DOI:10.1007/BF00522738

Reference yield:

phenylmagnesium chloride → 4-Phenyl-3-chloropyridazine (86663-07-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 2) 2N HCl / 1) THF, 20 h, r.t. 2) 10 min

2: 94 percent / POCl₃, pyridine / 2 h / 110 °C

With pyridine; hydrogenchloride; trichlorophosphate;

DOI:10.1016/S0040-4020(01)82400-5

upstream raw materials:

4-phenyl-2,3-dihydropyridazin-3-one

4-Phenyl-3,6-dioxo-1,2,3,6-tetrahydropyridazine

Downstream raw materials:

8-Phenyltetrazolo<1,5-b>pyridazine