2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid

Base Information

• Chemical Name: 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid
• CAS No.: 773099-18-6
• Molecular Formula: C6H5 Br N2 O4
• Molecular Weight: 249.02
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID80383449
• Wikidata: Q82175160
• Mol file: 773099-18-6.mol

Synonyms:2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid;773099-18-6;2-bromo-1-methylimidazole-4,5-dicarboxylic acid;1H-Imidazole-4,5-dicarboxylicacid, 2-bromo-1-methyl-;SCHEMBL21880068;DTXSID80383449;AKOS015901495;TS-00765;FT-0730900;A914441;2-bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid, AldrichCPR

Chemical Property of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 2.95E-12mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.704
• Boiling Point: 534.5°C at 760 mmHg
• Flash Point: 277.1°C
• PSA: 92.42000
• Density: 2.12g/cm³
• LogP: 0.57900
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 247.94327
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(N=C1Br)C(=O)O)C(=O)O