Cas no 91668-84-7 (Pyridine,2-bromo-6-methyl-, 1-oxide)

Pyridine,2-bromo-6-methyl-, 1-oxide structure
91668-84-7 structure
Product Name:Pyridine,2-bromo-6-methyl-, 1-oxide
CAS No:91668-84-7
MF:C6H6BrNO
MW:188.02194070816
CID:812971
PubChem ID:3652084
Update Time:2024-10-26

Pyridine,2-bromo-6-methyl-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Pyridine,2-bromo-6-methyl-, 1-oxide
    • 2-bromo-6-methyl-1-oxidopyridin-1-ium
    • 2-Bromo-6-methylpyridine-N-oxide
    • 2-Picoline, 6-bromo-, 1-oxide (6CI)
    • 2-Bromo-6-methylpyridin-1-ium-1-olate
    • 2-Bromo-6-methylpyridine 1-oxide
    • 2-Bromo-6-methylpyridine N-oxide
    • NSC 156877
    • NSC 159016
    • NSC 59444
    • NSC-59444
    • CHEMBL1977073
    • NSC-156877
    • 91668-84-7
    • SCHEMBL943724
    • DTXSID00394678
    • LZOXAGOIFMCDHY-UHFFFAOYSA-N
    • 2-Bromo-6-methylpyridinium N-oxide
    • NSC59444
    • 2-bromo-6-methyl-pyridine 1-oxide
    • NSC156877
    • DB-251394
    • 2-bromo-6-methylpyridine1-oxide
    • Inchi: 1S/C6H6BrNO/c1-5-3-2-4-6(7)8(5)9/h2-4H,1H3
    • InChI Key: LZOXAGOIFMCDHY-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C(C)=CC=CC=1Br

Computed Properties

  • Exact Mass: 186.963
  • Monoisotopic Mass: 186.963
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 99.1
  • 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
  • Topological Polar Surface Area: 25.5A^2
  • XLogP3: 1.3

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C

Pyridine,2-bromo-6-methyl-, 1-oxide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Peracetic acid Solvents: Acetic acid
Reference
Reaction of 2-bromopyridine N-oxides with active methylene compounds
Adams, Roger; et al, Journal of the American Chemical Society, 1957, 79, 2236-9

Production Method 2

Reaction Conditions
Reference
Synthesis of tritium labeled oximes: 2-pyridine aldoxime methiodide (2-PAM) and 1-(2-hydroxyiminomethylpyridinium)-1-(4-carboxyamidopyridinium) dimethyl ether dichloride (HI-6), with high specific activity
Balan, Ayala; et al, Journal of Labelled Compounds and Radiopharmaceuticals, 1993, 33(1), 19-32

Production Method 3

Reaction Conditions
Reference
Studies of 2-halopicoline N-oxides
Puszko, Aniela, Prace Naukowe Akademii Ekonomicznej imienia Oskara Langego we Wroclawiu, 1991, 563,

Pyridine,2-bromo-6-methyl-, 1-oxide Raw materials

Pyridine,2-bromo-6-methyl-, 1-oxide Preparation Products

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