2-chloro-3-(4-chlorophenyl)quinoline

• ChemBase ID: 42081
• Molecular Formular: C15H9Cl2N
• Molecular Mass: 274.14466
• Monoisotopic Mass: 273.01120465
• SMILES: c1(nc2c(cc1c1ccc(cc1)Cl)cccc2)Cl
• Canonical SMILES: Clc1ccc(cc1)c1cc2ccccc2nc1Cl
• InChI: InChI=1S/C15H9Cl2N/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
• InChIKey: CWVUGRRNPKOWFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(4-chlorophenyl)quinoline
• IUPAC Traditional name: 2-chloro-3-(4-chlorophenyl)quinoline
• Synonyms: 2-Chloro-3-(4-chlorophenyl)quinoline

Database IDs

• CAS Number: 85274-81-3
• MDL Number: MFCD00793214
• PubChem SID: 162046844
• PubChem CID: 2764254

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.20639
• LogD (pH = 7.4): 5.2063923
• Log P: 5.2063923
• Molar Refractivity: 75.7864 cm^3
• Polarizability: 31.743946 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 94 - 97 °C; 94-97°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%