8-methylquinoline

• ChemBase ID: 9850
• Molecular Formular: C10H9N
• Molecular Mass: 143.18516
• Monoisotopic Mass: 143.07349929
• SMILES: Cc1c2c(ccc1)cccn2
• Canonical SMILES: Cc1cccc2c1nccc2
• InChI: InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3
• InChIKey: JRLTTZUODKEYDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylquinoline
• IUPAC Traditional name: 8-methylquinoline
• Synonyms: 8-Methylquinoline; o-Toluquinoline; 8-Methylquinoline; 邻甲基喹啉; 8-甲基喹啉

Database IDs

• CAS Number: 611-32-5
• EC Number: 210-264-0
• MDL Number: MFCD00006810
• Beilstein Number: 111340
• PubChem SID: 24855833; 24884562; 160973157
• PubChem CID: 11910

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5977492
• LogD (pH = 7.4): 2.6437001
• Log P: 2.644322
• Molar Refractivity: 45.0205 cm^3
• Polarizability: 18.844322 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -80 °C(lit.); -80°C; -80°C; -81 - -80°C
• Boiling Point: 134-136°C/25mm; 135-136°C/25mm; 143 °C/34 mmHg(lit.)
• Flash Point: 105 °C; 105°C(221°F); 221 °F
• Density: 1.052; 1.052 g/mL at 25 °C(lit.); 1.074
• Refractive Index: 1.6145; 1.6150; n20/D 1.614(lit.); n20/D 1.615
• Hydrophobicity(logP): 2.528

Safety Information

• Storage Warning: IRRITANT
• RTECS: VC0562000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38-68
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H341-H315-H319
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 95%; 97%; 97+%
• Grade: purum
• Empirical Formula (Hill Notation): C10H9N

DETAILS

MP Biomedicals - 05205388

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 261769

Packaging
5, 25 g in glass bottle