2,4-bis(trichloromethyl)quinoline

• ChemBase ID: 816039
• Molecular Formular: C11H5Cl6N
• Molecular Mass: 363.8821
• Monoisotopic Mass: 360.85531525
• SMILES: c1cc2c(cc1)c(cc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
• Canonical SMILES: ClC(c1cc(nc2c1cccc2)C(Cl)(Cl)Cl)(Cl)Cl
• InChI: InChI=1S/C11H5Cl6N/c12-10(13,14)7-5-9(11(15,16)17)18-8-4-2-1-3-6(7)8/h1-5H
• InChIKey: XITQDHMQIVKTSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(trichloromethyl)quinoline
• IUPAC Traditional name: 2,4-bis(trichloromethyl)quinoline
• Synonyms: 2,4-BIS(TRICHLOROMETHYL)QUINOLINE

Database IDs

• CAS Number: 203506-37-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5123386
• LogD (pH = 7.4): 5.5125647
• Log P: 5.5125675
• Molar Refractivity: 80.5635 cm^3
• Polarizability: 31.790812 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%