4,5-dichloro-1,2-dimethyl-1H-imidazole

• ChemBase ID: 295965
• Molecular Formular: C5H6Cl2N2
• Molecular Mass: 165.02054
• Monoisotopic Mass: 163.99080356
• SMILES: Cc1nc(c(n1C)Cl)Cl
• Canonical SMILES: Cc1nc(c(n1C)Cl)Cl
• InChI: InChI=1S/C5H6Cl2N2/c1-3-8-4(6)5(7)9(3)2/h1-2H3
• InChIKey: OWNKAADCKPAOHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-1,2-dimethyl-1H-imidazole
• IUPAC Traditional name: 4,5-dichloro-1,2-dimethylimidazole
• Synonyms: 4,5-Dichloro-1,2-dimethylimidazole; 4,5-二氯-1,2-二甲基咪唑

Database IDs

• CAS Number: 175201-56-6
• MDL Number: MFCD00067909
• PubChem SID: 180681496
• PubChem CID: 7018000

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3389903
• LogD (pH = 7.4): 1.3447202
• Log P: 1.3447938
• Molar Refractivity: 39.0222 cm^3
• Polarizability: 14.642215 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-56°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%