2-methyl-8-nitroquinoline

• ChemBase ID: 123321
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: [N+](=O)(c1c2nc(ccc2ccc1)C)[O-]
• Canonical SMILES: Cc1ccc2c(n1)c(ccc2)[N+](=O)[O-]
• InChI: InChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3
• InChIKey: UHPGVDHXHDPYQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-8-nitroquinoline
• IUPAC Traditional name: quinoline, 2-methyl-8-nitro-
• Synonyms: 2-methyl-8-nitroquinoline; 8-Nitroquinaldine; 2-Methyl-8-nitroquinoline; 2-甲基-8-硝基喹啉

Database IDs

• CAS Number: 881-07-2
• EC Number: 212-919-6
• MDL Number: MFCD00006764
• Beilstein Number: 145077
• PubChem SID: 162217674
• PubChem CID: 13433

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2021737
• LogD (pH = 7.4): 2.2022538
• Log P: 2.2022548
• Molar Refractivity: 50.8913 cm^3
• Polarizability: 20.569153 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-139°C

Safety Information

• RTECS: UZ9830000
• Risk Statements: 68
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS08
• GHS Hazard statements: H341
• GHS Precautionary statements: P280H

Product Information

• Purity: 98%