7-methyl-8-nitroquinoline

• ChemBase ID: 301944
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: Cc1ccc2cccnc2c1[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1c(C)ccc2c1nccc2
• InChI: InChI=1S/C10H8N2O2/c1-7-4-5-8-3-2-6-11-9(8)10(7)12(13)14/h2-6H,1H3
• InChIKey: ZZDTVYJYMRSNQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-8-nitroquinoline
• IUPAC Traditional name: 7-methyl-8-nitroquinoline
• Synonyms: 7-Methyl-8-nitroquinoline; 7-Methyl-8-nitroquinoline; 7-甲基-8-硝基喹啉

Database IDs

• CAS Number: 7471-63-8
• EC Number: 231-268-9
• MDL Number: MFCD00041234
• Beilstein Number: 154601

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.584238
• LogD (pH = 7.4): 2.5843053
• Log P: 2.584306
• Molar Refractivity: 51.341 cm^3
• Polarizability: 20.57004 Å^3
• Polar Surface Area: 56.03 Å^2

PROPERTIES

Physical Property

• Melting Point: 185-186°C

Safety Information

• Risk Statements: 68
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS08
• GHS Hazard statements: H341
• GHS Precautionary statements: P281-P201-P202-P308+P313-P405-P501A

Product Information

• Purity: 98%; 98+%