7-methoxyquinolin-4-ol

• ChemBase ID: 92048
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: n1ccc(c2ccc(cc12)OC)O
• Canonical SMILES: COc1ccc2c(c1)nccc2O
• InChI: InChI=1S/C10H9NO2/c1-13-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)
• InChIKey: NQUPXNZWBGZRQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyquinolin-4-ol
• IUPAC Traditional name: 7-methoxyquinolin-4-ol
• Synonyms: 4-Hydroxy-7-methoxyquinoline; 7-methoxyquinolin-4-ol; 4-Hydroxy-7-methoxyquinoline; 4-羟基-7-甲氧基喹啉

Database IDs

• CAS Number: 82121-05-9; 190516-85-9
• MDL Number: MFCD00169015
• PubChem SID: 162078746
• PubChem CID: 2831995

CALCULATED PROPERTIES

• Acid pKa: 10.700278
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6684772
• LogD (pH = 7.4): 1.6694345
• Log P: 1.6696639
• Molar Refractivity: 48.4234 cm^3
• Polarizability: 20.071184 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C; 213-217 °C; 213-217°C
• Hydrophobicity(logP): 2.631

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Stench/Air Sensitive/Store under Argon
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C10H9NO2

DETAILS

Sigma Aldrich - 699896

Packaging
5 g in glass bottle