1-Ethyl-3-methylimidazolium bromide(EMIMBr) - ≥98% , CAS No.65039-08-9

CAS: 65039-08-9 Cat. No.: E101503 Formule: C₆H₁₁BrN₂ Poids moléculaire: 191.07 Beilstein Registry Number: 5162084 Numéro CE: 629-636-2

GRADE & PURITY ≥98%

Synonyms

1-Methyl-3-ethylimidazolium bromide | 1-Ethyl-3-methyl-1H-imidazolium bromide | EMIMBr

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

Application

1-Ethyl-3-methylimidazolium bromide can be used to prepare:

1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide

1-ethyl-3-methylimidazolium tetrafluoroborate

(EMI)[Cd(BTC)] (EMI = 1-ethyl-3-methylimidazolium, BTC = 1,3,5-benzenetricarboxylate), a coordination polymer

Specifications

Synonymes

1-Methyl-3-ethylimidazolium bromide | 1-Ethyl-3-methyl-1H-imidazolium bromide | EMIMBr

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508807274
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508807274
• Sourires canoniques: CCN1C=C[N+](=C1)C.[Br-]
• IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;bromide
• InChIKey: GWQYPLXGJIXMMV-UHFFFAOYSA-M
• INCHI: 1S/C6H11N2.BrH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
• Isomères SMILES: CCN1C=C[N+](=C1)C.[Br-]
• WGK Allemagne: 3
• Poids moléculaire: 191.07
• Beilstein: 5162084
• Reaxy-Rn: 4588996
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4588996&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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water, dichloromethane, ethanol, acetonitrile. Insoluble in ethyl acetate, ether, and alkane.
• Sensibilité: Moisture sensitive
• Point de fusion (°C): 71℃
• Poids moléculaire: 191.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.011 Da
• Monoisotopic Mass: 190.011 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.900
• 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