4-chloro-2,8-dimethylquinoline

• ChemBase ID: 276540
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c12c(c(cc(n1)C)Cl)cccc2C
• Canonical SMILES: Cc1cc(Cl)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3
• InChIKey: ILOAZUIOTZZIBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,8-dimethylquinoline
• IUPAC Traditional name: 4-chloro-2,8-dimethylquinoline
• Synonyms: 4-chloro-2,8-dimethylquinoline; 4-Chloro-2,8-dimethylquinoline; 4-氯-2,8-二甲基喹啉

Database IDs

• CAS Number: 32314-39-9
• MDL Number: MFCD00272352; MFCD00272394
• PubChem SID: 164332450
• PubChem CID: 809556

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3640351
• LogD (pH = 7.4): 3.3795354
• Log P: 3.3797367
• Molar Refractivity: 54.4168 cm^3
• Polarizability: 22.371054 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.824

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: P280G-P305+P351+P338

Product Information

• Purity: 95%; 95+%; 98%