4-chloro-6-methylquinoline

• ChemBase ID: 88583
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: n1ccc(c2c1ccc(c2)C)Cl
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C10H8ClN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
• InChIKey: HZWWPOQFLMUYOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methylquinoline
• IUPAC Traditional name: 4-chloro-6-methylquinoline
• Synonyms: 4-Chloro-6-methylquinoline; 4-Chloro-6-methylquinoline

Database IDs

• CAS Number: 18436-71-0
• MDL Number: MFCD02684204
• PubChem SID: 162075508
• PubChem CID: 824624

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.243524
• LogD (pH = 7.4): 3.2483053
• Log P: 3.2483666
• Molar Refractivity: 49.8253 cm^3
• Polarizability: 20.605242 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Store under Argon
• 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%; 98%