6-methoxyquinoline

• ChemBase ID: 77485
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: n1cccc2cc(ccc12)OC
• Canonical SMILES: COc1ccc2c(c1)cccn2
• InChI: InChI=1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3
• InChIKey: HFDLDPJYCIEXJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinoline
• IUPAC Traditional name: 6-methoxyquinoline
• Synonyms: 6-Methoxyquinoline; 6-Methoxyquinoline; NSC 1954; 6-甲氧基喹啉

Database IDs

• CAS Number: 5263-87-6
• EC Number: 226-077-2
• MDL Number: MFCD00006800
• Beilstein Number: 115244
• PubChem SID: 162042357; 24883663; 24851029
• PubChem CID: 14860

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9190755
• LogD (pH = 7.4): 1.9724991
• Log P: 1.9732292
• Molar Refractivity: 46.4425 cm^3
• Polarizability: 19.516335 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 17-20°C; 17-20°C; 18-20 °C(lit.)
• Boiling Point: 140-146 °C/15 mmHg(lit.); 140-146°C@15 mm Hg; 141-145°C/15mm; 141-145°C/15mm
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.15 g/ml; 1.15 g/mL at 20 °C(lit.); 1.152
• Refractive Index: 1.6250; n20/D 1.623; n20/D 1.625(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... CYP2D6(1565)

Product Information

• Purity: ≥90% (GC); 98%
• Grade: technical
• Empirical Formula (Hill Notation): C10H9NO

DETAILS

MP Biomedicals - 05214154

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155439

1 ml = approx. 1.15 g

Sigma Aldrich - 183067

Packaging
25, 100 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 64950

Caution
discolors on storage

Toronto Research Chemicals - M267400

A useful sythetic intermediate.