2-methylquinolin-4-ol

• ChemBase ID: 78733
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: n1c(cc(c2c1cccc2)O)C
• Canonical SMILES: Cc1cc(O)c2c(n1)cccc2
• InChI: InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
• InChIKey: NWINIEGDLHHNLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinolin-4-ol
• IUPAC Traditional name: 4-hydroxy-2-methylquinoline
• Synonyms: 2-methylquinolin-4-ol; 2-Methyl-4-quinolinol; 4-Hydroxy-2-methylquinoline; 4-Hydroxyquinaldine; 4-Hydroxy-2-methylquinoline; 2-甲基-4-羟基喹啉; 4-羟基-2-甲基喹啉

Database IDs

• CAS Number: 607-67-0
• EC Number: 210-140-6
• MDL Number: MFCD00006758
• Beilstein Number: 118320
• PubChem SID: 162043496; 24895640
• PubChem CID: 69089

CALCULATED PROPERTIES

• Acid pKa: 10.792491
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9567364
• LogD (pH = 7.4): 1.9585068
• Log P: 1.9587053
• Molar Refractivity: 46.5517 cm^3
• Polarizability: 19.358475 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234-236°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%; 98.5%; 98+%
• Empirical Formula (Hill Notation): C10H9NO

DETAILS

Sigma Aldrich - H43806

Packaging
10, 50 g in poly bottle

REFERENCES

• 4-Hydroxy-2-methylquinolines may be converted to benzo[a]acridines by condensation with aryl aldehydes followed by a photochemical cyclization: Synthesis, 217 (1991).