Cas no 859161-48-1 (3-(Bromomethyl)-6-chloropyridazine)

3-(Bromomethyl)-6-chloropyridazine structure
859161-48-1 structure
Product Name:3-(Bromomethyl)-6-chloropyridazine
CAS No:859161-48-1
MF:C5H4BrClN2
MW:207.455658912659
CID:822181
PubChem ID:23080925
Update Time:2024-10-26

3-(Bromomethyl)-6-chloropyridazine Chemical and Physical Properties

Names and Identifiers

    • 3-(Bromomethyl)-6-chloropyridazine
    • 3-BROMOMETHYL-6-CHLORO-PYRIDAZINE
    • 3-(Bromomethyl)-6-chloropyridazine (ACI)
    • 3-Bromomethyl-6-chloropyridazine
    • SY326135
    • DB-076485
    • GVXWGEMPRMESSK-UHFFFAOYSA-N
    • MFCD18837131
    • AKOS015940527
    • CS-0456488
    • 859161-48-1
    • DTXSID90630370
    • SCHEMBL247437
    • MDL: MFCD18837131
    • Inchi: 1S/C5H4BrClN2/c6-3-4-1-2-5(7)9-8-4/h1-2H,3H2
    • InChI Key: GVXWGEMPRMESSK-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(CBr)=NN=1

Computed Properties

  • Exact Mass: 205.92464g/mol
  • Monoisotopic Mass: 205.92464g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 91
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Density: 1.768

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3-(Bromomethyl)-6-chloropyridazine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Solvents: Ethanol
2.1 Reagents: Acetic acid ,  Bromine Solvents: Acetic acid ;  40 °C; 0.5 h, 40 °C → 80 °C
3.1 Reagents: Sodium acetate Solvents: Acetic acid ;  1 h, reflux
4.1 Reagents: Phosphorus oxychloride ;  3 h, 60 - 65 °C; 65 °C → rt
4.2 Reagents: Sodium hydroxide Solvents: Water ;  pH 7 - 8, cooled
5.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon tetrachloride ;  10 h, reflux
Reference
Synthesis and herbicidal activity of 3-(substituted phenoxymethyl)-6-chloropyridazines
Hu, Fang-Zhong; et al, Youji Huaxue, 2007, 27(5), 593-596

Production Method 2

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon tetrachloride ;  10 h, reflux
Reference
Synthesis and herbicidal activity of 3-(substituted phenoxymethyl)-6-chloropyridazines
Hu, Fang-Zhong; et al, Youji Huaxue, 2007, 27(5), 593-596

Production Method 3

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  3 h, 60 - 65 °C; 65 °C → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  pH 7 - 8, cooled
2.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon tetrachloride ;  10 h, reflux
Reference
Synthesis and herbicidal activity of 3-(substituted phenoxymethyl)-6-chloropyridazines
Hu, Fang-Zhong; et al, Youji Huaxue, 2007, 27(5), 593-596

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium acetate Solvents: Acetic acid ;  1 h, reflux
2.1 Reagents: Phosphorus oxychloride ;  3 h, 60 - 65 °C; 65 °C → rt
2.2 Reagents: Sodium hydroxide Solvents: Water ;  pH 7 - 8, cooled
3.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon tetrachloride ;  10 h, reflux
Reference
Synthesis and herbicidal activity of 3-(substituted phenoxymethyl)-6-chloropyridazines
Hu, Fang-Zhong; et al, Youji Huaxue, 2007, 27(5), 593-596

Production Method 5

Reaction Conditions
1.1 Reagents: Acetic acid ,  Bromine Solvents: Acetic acid ;  40 °C; 0.5 h, 40 °C → 80 °C
2.1 Reagents: Sodium acetate Solvents: Acetic acid ;  1 h, reflux
3.1 Reagents: Phosphorus oxychloride ;  3 h, 60 - 65 °C; 65 °C → rt
3.2 Reagents: Sodium hydroxide Solvents: Water ;  pH 7 - 8, cooled
4.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon tetrachloride ;  10 h, reflux
Reference
Synthesis and herbicidal activity of 3-(substituted phenoxymethyl)-6-chloropyridazines
Hu, Fang-Zhong; et al, Youji Huaxue, 2007, 27(5), 593-596

3-(Bromomethyl)-6-chloropyridazine Raw materials

3-(Bromomethyl)-6-chloropyridazine Preparation Products

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