1-Methylimidazole Hydrobromide - ≥98% , CAS No.101023-58-9

CAS: 101023-58-9 Cat. No.: M404737 Summenformel: C₄H₆N₂•HBr Molekulargewicht: 163.02 EG-Nummer: 801-389-7

GRADE & PURITY ≥98%

Synonyms

D91624 | UNII-RHH9N0SJ73 | 1H-Imidazole, 1-methyl-, monohydrobromide | 1-methylimidazole;hydrobromide | M3212 | 1-Methylimidazole Hydrobromide | 1-methylimidazolium bromide | RHH9N0SJ73 | 1H-Imidazole, 1-methyl-, hydrobromide (1:1) | SCHEMBL23044728 | N-M

Storage

Argon charged,Room temperature

Specifications

Synonyme

D91624 | UNII-RHH9N0SJ73 | 1H-Imidazole, 1-methyl-, monohydrobromide | 1-methylimidazole;hydrobromide | M3212 | 1-Methylimidazole Hydrobromide | 1-methylimidazolium bromide | RHH9N0SJ73 | 1H-Imidazole, 1-methyl-, hydrobromide (1:1) | SCHEMBL23044728 | N-M

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528754667
• Kanonisches Lächeln: CN1C=CN=C1.Br
• IUPAC Name: 1-methylimidazole;hydrobromide
• InChIKey: OOKUTCYPKPJYFV-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2.BrH/c1-6-3-2-5-4-6;/h2-4H,1H3;1H
• Isomere SMILES: CN1C=CN=C1.Br
• Molekulargewicht: 163.02
• Reaxy-Rn: 7486685
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7486685&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Imidazoles
        • Ebene5 Substituted imidazoles
          • Ebene6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Empfindlichkeit: Hygroscopic
• Molekulargewicht: 163.020 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.979 Da
• Monoisotopic Mass: 161.979 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 44.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3