4-chloro-7-fluoro-2-methylquinoline

• ChemBase ID: 297512
• Molecular Formular: C10H7ClFN
• Molecular Mass: 195.6206832
• Monoisotopic Mass: 195.02510513
• SMILES: Cc1cc(c2ccc(cc2n1)F)Cl
• Canonical SMILES: Fc1ccc2c(c1)nc(cc2Cl)C
• InChI: InChI=1S/C10H7ClFN/c1-6-4-9(11)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3
• InChIKey: BBZQRRHOPBBNRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7-fluoro-2-methylquinoline
• IUPAC Traditional name: 4-chloro-7-fluoro-2-methylquinoline
• Synonyms: 4-Chloro-7-fluoro-2-methylquinoline; 4-CHLORO-7-FLUORO-2-METHYLQUINOLINE; 4-氯-7-氟-2-甲基喹啉

Database IDs

• CAS Number: 18529-04-9
• MDL Number: MFCD00272333
• PubChem SID: 180683043
• PubChem CID: 15151230

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.004149
• LogD (pH = 7.4): 3.0089557
• Log P: 3.0090172
• Molar Refractivity: 49.592 cm^3
• Polarizability: 20.226706 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 95%; 98%