4-chloro-6,8-difluoroquinoline

• ChemBase ID: 97508
• Molecular Formular: C9H4ClF2N
• Molecular Mass: 199.5845664
• Monoisotopic Mass: 199.00003325
• SMILES: n1ccc(c2c1c(cc(c2)F)F)Cl
• Canonical SMILES: Fc1cc(F)c2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C9H4ClF2N/c10-7-1-2-13-9-6(7)3-5(11)4-8(9)12/h1-4H
• InChIKey: NBYDBLFWTPXYFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,8-difluoroquinoline
• IUPAC Traditional name: 4-chloro-6,8-difluoroquinoline
• Synonyms: 4-Chloro-6,8-difluoroquinoline; 4-Chloro-6,8-difluoroquinoline

Database IDs

• CAS Number: 239463-89-9
• MDL Number: MFCD00278782
• PubChem SID: 162084115
• PubChem CID: 2736502

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0203478
• LogD (pH = 7.4): 3.020349
• Log P: 3.020349
• Molar Refractivity: 45.2169 cm^3
• Polarizability: 18.19358 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%