5-bromo-1,2-dimethyl-1H-imidazole

• ChemBase ID: 75853
• Molecular Formular: C5H7BrN2
• Molecular Mass: 175.02648
• Monoisotopic Mass: 173.97926023
• SMILES: n1c(C)n(c(c1)Br)C
• Canonical SMILES: Cn1c(C)ncc1Br
• InChI: InChI=1S/C5H7BrN2/c1-4-7-3-5(6)8(4)2/h3H,1-2H3
• InChIKey: WIRCWIXZNDCIST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-1,2-dimethyl-1H-imidazole
• IUPAC Traditional name: 5-bromo-1,2-dimethylimidazole
• Synonyms: 5-Bromo-1,2-dimethyl-1H-imidazole

Database IDs

• CAS Number: 24134-09-6
• MDL Number: MFCD06659905
• PubChem SID: 162040771
• PubChem CID: 7204879

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): -0.009601652
• LogD (pH = 7.4): 0.64012367
• Log P: 0.67062473
• Molar Refractivity: 35.755 cm^3
• Polarizability: 13.635404 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Physical Property

• Melting Point: 86-90°C; 92 - 94°C
• Hydrophobicity(logP): 1.154

Safety Information

• Storage Warning: Corrosive/Keep Cold

Product Information

• Purity: 95%; 95+%; 97%; 98%