2-phenylquinoline

• ChemBase ID: 146928
• Molecular Formular: C15H11N
• Molecular Mass: 205.25454
• Monoisotopic Mass: 205.08914936
• SMILES: c1ccc(cc1)c1ccc2ccccc2n1
• Canonical SMILES: c1ccc(cc1)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H
• InChIKey: FSEXLNMNADBYJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylquinoline
• IUPAC Traditional name: 2-phenylquinoline
• Synonyms: 2-Phenylquinoline; 2-Phenyl quinoline; 2-苯基喹啉

Database IDs

• CAS Number: 612-96-4
• EC Number: 210-326-7
• MDL Number: MFCD00011568
• PubChem SID: 24858052; 162241120
• PubChem CID: 71545

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1559215
• LogD (pH = 7.4): 4.1638737
• Log P: 4.163976
• Molar Refractivity: 64.7435 cm^3
• Polarizability: 28.228865 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-84°C; 84-85 °C(lit.)
• Boiling Point: 363°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: rat ... Grin2b(24410)

Product Information

• Purity: 99%; 99+%
• Empirical Formula (Hill Notation): C15H11N

DETAILS

Sigma Aldrich - 299650

Packaging
1, 5 g in glass bottle