6-Bromopyridazin-3(2h)-one

Base Information

• Chemical Name: 6-Bromopyridazin-3(2h)-one
• CAS No.: 51355-94-3
• Molecular Formula: C4H3 Br N2 O
• Molecular Weight: 174.985
• Hs Code.: 2933990090
• European Community (EC) Number: 800-564-5
• NSC Number: 71099
• DSSTox Substance ID: DTXSID00290803
• Wikidata: Q82028594
• Mol file: 51355-94-3.mol

Synonyms:6-bromopyridazin-3(2h)-one;51355-94-3;3-bromo-1H-pyridazin-6-one;6-Bromopyridazin-3-ol;6-BROMO-3-PYRIDAZINOL;NSC71099;NCIOpen2_000608;SCHEMBL4432194;SCHEMBL11323628;DTXSID00290803;MFCD11223475;MFCD12198221;NSC-71099;AKOS006308533;AKOS022185631;CS-W007135;DS-4876;SY113687;FT-0740853;EN300-87122;O11566;A871303

Chemical Property of 6-Bromopyridazin-3(2h)-one

Chemical Property:

• Vapor Pressure: 8.55E-06mmHg at 25°C
• Refractive Index: 1.678
• Boiling Point: 363.6°Cat760mmHg
• PKA: 9.80±0.40(Predicted)
• Flash Point: 173.7°C
• PSA: 45.75000
• Density: 2g/cm³
• LogP: 0.53240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 173.94288
• Heavy Atom Count: 8
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

6-Bromopyridazin-3(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NNC1=O)Br

Technology Process of 6-Bromopyridazin-3(2h)-one

There total 3 articles about 6-Bromopyridazin-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: 99.0%

3,6-dibromopyridazine (17973-86-3) → 3-bromo-1,6-dihydro-6-oxopyridazine (51355-94-3)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 2h; Microwave irradiation; Sealed tube;

Reference yield:

Maleic hydrazide (123-33-1) → 3,6-dibromopyridazine (17973-86-3) + 3-bromo-1,6-dihydro-6-oxopyridazine (51355-94-3)

Guidance literature:

With phosphorus(V) oxybromide;

DOI:10.1021/ja01641a043

Reference yield:

→ 3-bromo-1,6-dihydro-6-oxopyridazine (51355-94-3)

Guidance literature:

I, Paraformaldehyd/HBr;

upstream raw materials:

Maleic hydrazide

3,6-dibromopyridazine

Downstream raw materials:

6-(4-(methylthio)phenyl)pyridazin-3(2H)-one

6-(2-fluoro-4-methoxyphenyl)pyridazin-3(2H)-one