1-Ethyl-3-MethyliMidazoliuMHydrogenSulfate - ≥98% , CAS No.674282-83-8

CAS: 674282-83-8 Cat. No.: E304343 Formula: C₆H₁₂N₂O₄S Peso molecolare: 208.235

GRADE & PURITY ≥98%

Synonyms

SCHEMBL479201 | NCGC00260190-01 | FT-0715321 | Tox21_202642 | 1-methyl-3-ethylimidazolium hydrogensulfate | 1-Ethyl-3-methyl-1H-imidazol-3-ium hydrogen sulfate | 1-Ethyl-3-methylimidazoliumHydrogenSulfate | DTXSID1049300 | A873115 | AKOS015856738 | BS-170

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL479201 | NCGC00260190-01 | FT-0715321 | Tox21_202642 | 1-methyl-3-ethylimidazolium hydrogensulfate | 1-Ethyl-3-methyl-1H-imidazol-3-ium hydrogen sulfate | 1-Ethyl-3-methylimidazoliumHydrogenSulfate | DTXSID1049300 | A873115 | AKOS015856738 | BS-170

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488199223

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199223

Sorrisi canonici

CCN1C=C[N+](=C1)C.OS(=O)(=O)[O-]

IUPAC Name

1-ethyl-3-methylimidazol-3-ium;hydrogen sulfate

InChIKey

HZKDSQCZNUUQIF-UHFFFAOYSA-M

INCHI

1S/C6H11N2.H2O4S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1

Isomeri SMILES

CCN1C=C[N+](=C1)C.OS(=O)(=O)[O-]

Peso molecolare

208.235

Reaxy-Rn

9659447

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9659447&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: Organic sulfate salts Organic sulfuric acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Organic sulfate salt - N-substituted imidazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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: 208.240 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.052 Da
• Monoisotopic Mass: 208.052 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 674282-83-8, the molecular formula is C6H12N2O4S, and the molecular weight is 208.235 g/mol. InChIKey HZKDSQCZNUUQIF-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.