5-bromo-8-methoxyquinoline

• ChemBase ID: 298673
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: COc1ccc(c2c1nccc2)Br
• Canonical SMILES: COc1ccc(c2c1nccc2)Br
• InChI: InChI=1S/C10H8BrNO/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,1H3
• InChIKey: ZRQISUREPLHYIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-8-methoxyquinoline
• IUPAC Traditional name: 5-bromo-8-methoxyquinoline
• Synonyms: 5-bromo-8-methoxyquinoline; 5-Bromo-8-methoxyquinoline; 5-溴-8-甲氧基喹啉

Database IDs

• CAS Number: 10522-47-1
• MDL Number: MFCD04966996
• PubChem SID: 180684204
• PubChem CID: 4715023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7418056
• LogD (pH = 7.4): 2.7419796
• Log P: 2.7419817
• Molar Refractivity: 54.0653 cm^3
• Polarizability: 22.162767 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-82°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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: 96%