7-chloro-8-methylquinoline

• ChemBase ID: 77858
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: n1c2c(ccc1)ccc(c2C)Cl
• Canonical SMILES: Clc1ccc2c(c1C)nccc2
• InChI: InChI=1S/C10H8ClN/c1-7-9(11)5-4-8-3-2-6-12-10(7)8/h2-6H,1H3
• InChIKey: NKWDCLXGUJHNHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-methylquinoline
• IUPAC Traditional name: 7-chloro-8-methylquinoline
• Synonyms: 7-Chloro-8-methyl-quinoline; 7-Chloro-8-methylquinoline

Database IDs

• CAS Number: 78941-93-2
• MDL Number: MFCD09743893
• PubChem SID: 162042703
• PubChem CID: 13090783

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2416215
• LogD (pH = 7.4): 3.248281
• Log P: 3.2483666
• Molar Refractivity: 49.8253 cm^3
• Polarizability: 20.598059 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Yellow Solid
• Melting Point: 45-47°C
• Hydrophobicity(logP): 3.304

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95%; 97%