7-methylquinoline

• ChemBase ID: 146025
• Molecular Formular: C10H9N
• Molecular Mass: 143.18516
• Monoisotopic Mass: 143.07349929
• SMILES: Cc1ccc2cccnc2c1
• Canonical SMILES: Cc1ccc2c(c1)nccc2
• InChI: InChI=1S/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H3
• InChIKey: KDYVCOSVYOSHOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methylquinoline
• IUPAC Traditional name: 7-methylquinoline
• Synonyms: 7-Methylquinoline; 7-Methylquinoline; 7-甲基喹啉

Database IDs

• CAS Number: 612-60-2
• EC Number: 210-316-2
• MDL Number: MFCD00006805
• Beilstein Number: 110317
• PubChem SID: 24856042; 162240225
• PubChem CID: 11927

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.556725
• LogD (pH = 7.4): 2.6430888
• Log P: 2.644322
• Molar Refractivity: 45.0205 cm^3
• Polarizability: 18.842335 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Viscous liquid
• Melting Point: 35-37 °C(lit.)
• Boiling Point: 251-253°C; 258 °C(lit.)
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.07

Safety Information

• RTECS: VC0560000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-68; 37/38-41
• Safety Statements: 23-26-36/37; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335; H341-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C10H9N

DETAILS

Sigma Aldrich - 264911

Packaging
100 mg in glass bottle