3,4-Dichloropyridazine

Base Information

• Chemical Name: 3,4-Dichloropyridazine
• CAS No.: 1677-80-1
• Molecular Formula: C4H2 Cl2 N2
• Molecular Weight: 148.979
• Hs Code.: 2933990090
• European Community (EC) Number: 838-403-6
• NSC Number: 73470
• DSSTox Substance ID: DTXSID90291142
• Wikidata: Q82028998
• Mol file: 1677-80-1.mol

Synonyms:3,4-dichloropyridazine;1677-80-1;Pyridazine, dichloro-;dichloropyridazine;Dichlorpyridazin;NSC73470;Pyridazine, 3,4-dichloro-;3,4-bis(chloranyl)pyridazine;SCHEMBL423090;DTXSID90291142;AMY24982;MFCD20040517;NSC 73470;NSC-73470;AKOS015891582;CS-W008794;PB30392;AS-30889;FT-0769856;A814429

Chemical Property of 3,4-Dichloropyridazine

Chemical Property:

• Vapor Pressure: 0.00501mmHg at 25°C
• Boiling Point: 284.8°Cat760mmHg
• PKA: -0.89±0.10(Predicted)
• Flash Point: 153.2°C
• PSA: 25.78000
• Density: 1.493g/cm³
• LogP: 1.78340
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.9595035
• Heavy Atom Count: 8
• Complexity: 78.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-dichloropyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=NC(=C1Cl)Cl

Technology Process of 3,4-Dichloropyridazine

There total 3 articles about 3,4-Dichloropyridazine 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: 85.0%

3-hydroxypyridazine (504-30-3) → 3,4-dicholoropyridazine (1677-80-1)

Guidance literature:

With dmap; thionyl chloride; bis(trichloromethyl) carbonate; for 10h; Reflux; Green chemistry;

DOI:10.1021/acs.oprd.9b00407

Reference yield: 64.0%

4-chloropyridazin-3-ol (1677-79-8) → 3,4-dicholoropyridazine (1677-80-1)

Guidance literature:

With trichlorophosphate; In acetonitrile; at 80 ℃; for 3h; Temperature;

Reference yield:

→ 3,4-dicholoropyridazine (1677-80-1)

Guidance literature:

5-Chlor-6(1H)-pyridazinon, POCl3 (130grad);

upstream raw materials:

4-chloropyridazin-3-ol

3-hydroxypyridazine

Downstream raw materials:

C₁₀H₈ClN₃O

3-chloro-6-phenoxy-pyridazine

Refernces

• 1、 Wang, Jian,Li, Yan-Hui,Pan, Song-Cheng,Li, Ming-Fang,Du, Wenting,Yin, Hong,Li, Jing-Hua. "Efficient Phosphorus-Free Chlorination of Hydroxy Aza-Arenes and Their Application in One-Pot Pharmaceutical Synthesis". supporting information. p. 146 - 153. Retrieved 2020/03/10.