1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)

Base Information

• Chemical Name: 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)
• CAS No.: 56396-28-2
• Molecular Formula: C6H9N3O6S
• Molecular Weight: 251.2172
• DSSTox Substance ID: DTXSID80204963
• Nikkaji Number: J755.638A
• Wikidata: Q83078461

Synonyms:2-Methyl-5-nitro-1H-imidazole-1-ethanol hydrogen sulfate (ester);1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester);56396-28-2;C6H9N3O6S;DTXSID80204963;C6-H9-N3-O6-S;Sulfuric acid hydrogen 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester

Chemical Property of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.69±0.18(Predicted)
• Flash Point: °C
• PSA: 135.62000
• Density: 1.73g/cm³
• LogP: 1.52310
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 251.02120619
• Heavy Atom Count: 16
• Complexity: 346

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1CCOS(=O)(=O)O)[N+](=O)[O-]

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