1-decyl-3-methylimidazolium bromide - ≥98% , CAS No.188589-32-4

CAS: 188589-32-4 Cat. No.: D189059 Molecular Weight: 303.28158 EC Number: 801-461-8

GRADE & PURITY ≥98%

Synonyms

NCGC00260170-01 | 3-Decyl-1-methyl-1H-imidazolium bromide (1:1) | CAS-188589-32-4 | AKOS005145893 | DTXSID5049237 | MFCD09038832 | SCHEMBL466201 | 1-DECYL-3-METHYLIMIDAZOLIUM BROMIDE | Tox21_202622 | D5350 | 1-Decyl-3-methyl-3-imidazolium Bromide | SY0786

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

NCGC00260170-01 | 3-Decyl-1-methyl-1H-imidazolium bromide (1:1) | CAS-188589-32-4 | AKOS005145893 | DTXSID5049237 | MFCD09038832 | SCHEMBL466201 | 1-DECYL-3-METHYLIMIDAZOLIUM BROMIDE | Tox21_202622 | D5350 | 1-Decyl-3-methyl-3-imidazolium Bromide | SY0786

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200045
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200045
• Canonical Smiles: CCCCCCCCCCN1C=C[N+](=C1)C.[Br-]
• IUPAC Name: 1-decyl-3-methylimidazol-3-ium;bromide
• InChIKey: HOISBTKPPVRFDS-UHFFFAOYSA-M
• INCHI: 1S/C14H27N2.BrH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCN1C=C[N+](=C1)C.[Br-]
• Molecular Weight: 303.28158
• Reaxy-Rn: 7956982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7956982&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.52
• Molecular Weight: 303.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 302.136 Da
• Monoisotopic Mass: 302.136 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 159.000
• 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

References

1. Yifei Zhao, Fangrui Cheng, Shuai Zhang, Ruirui Yang, Man Li, Hong Ming, Shi Ye.  (2022)  Formation mechanisms of CsPbBr3/Cs4PbBr6 microscale composites assisted with imidazolium cations and their device applications.  DALTON TRANSACTIONS,  51  (24): (9445-9453).  [PMID:35678122] [10.1039/D2DT00842D]

2. Yumiao Jiang, Yingxue Liu, Shuai Gao, Xugeng Guo, Jinglai Zhang.  (2021)  Experimental and theoretical studies on corrosion inhibition behavior of three imidazolium-based ionic liquids for magnesium alloys in sodium chloride solution.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2021.116998]

3. Ximei Sun, Feirong Wang, Jieqiong Wang, Hao Xiao, Qiang Kang, Yiqian Zeng, Qinglai Yang, Xiaofeng Tan.  (2024)  Ionic liquid-induced Pd aerogels with interface regulation for boosted catalytic reduction of 4-nitrophenol.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2024.113027]