bROMURO DI 1-ETIL-2,3-DIMETILIMIDAZOLIO - ≥99% , CAS No.98892-76-3

CAS: 98892-76-3 Cat. No.: E189240 Formula: C₇H₁₃BrN₂ Peso molecolare: 205.1 Numero EC: 801-414-1

GRADE & PURITY ≥99%

Synonyms

A858508 | 1H-Imidazolium, 1-ethyl-2,3-dimethyl-, bromide | C7H13BrN2 | YDA89276 | 1-ETHYL-2,3-DIMETHYLIMIDAZOLIUM BROMIDE | 1-ethyl-2,3-dimethyl-imidazolium bromide | 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium bromide | BS-18027 | 1-ethyl-2,3-dimethylimidazol

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

A858508 | 1H-Imidazolium, 1-ethyl-2,3-dimethyl-, bromide | C7H13BrN2 | YDA89276 | 1-ETHYL-2,3-DIMETHYLIMIDAZOLIUM BROMIDE | 1-ethyl-2,3-dimethyl-imidazolium bromide | 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium bromide | BS-18027 | 1-ethyl-2,3-dimethylimidazol

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488192513
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192513
• Sorrisi canonici: CCN1C=C[N+](=C1C)C.[Br-]
• IUPAC Name: 1-ethyl-2,3-dimethylimidazol-3-ium;bromide
• InChIKey: GITMVCYKHULLDM-UHFFFAOYSA-M
• INCHI: 1S/C7H13N2.BrH/c1-4-9-6-5-8(3)7(9)2;/h5-6H,4H2,1-3H3;1H/q+1;/p-1
• Isomeri SMILES: CCN1C=C[N+](=C1C)C.[Br-]
• Peso molecolare: 205.1
• Reaxy-Rn: 8644708
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8644708&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 205.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.026 Da
• Monoisotopic Mass: 204.026 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 92.900
• 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

Riferimenti

1. Hao Wang, Xintong Zhang, Zhencai Zhang, Yiwen Zhang, Zhao Yang, Wentao Zhang, Chunshan Li, Fei Xu.  (2025)  Quantum-Chemically Guided Insights on Ionic Liquid Catalysts for Biobased Polycarbonate Synthesis─Mechanistic Exploration and Cation-Functionalized Optimization.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c10922]

2. Jiance Jin, Kai Han, Yuzhen Wang, Maxim S. Molokeev, Liang Li, Zhiguo Xia.  (2025)  Cerium(III) Bromide Hybrid with Near-Unity Photoluminescence Quantum Efficiency for High-Resolution and Fast X-ray Imaging.  Fundamental Research,      [PMID:] [10.1016/j.fmre.2025.02.007]