quinolin-4-ol

• ChemBase ID: 68150
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: n1ccc(c2ccccc12)O
• Canonical SMILES: Oc1ccnc2c1cccc2
• InChI: InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
• InChIKey: PMZDQRJGMBOQBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-4-ol
• IUPAC Traditional name: 4-hydroxyquinoline
• Synonyms: 4-Hydroxyquinoline; Quinolin-4-ol; 4-Hydroxyquinoline; quinolin-4-ol; 4-Quinolinol; 4-Hydroxyquinoline; 4-Hydroxy-1-azanaphthalene; 4-Quinolinol; 4-羟基喹啉; 4-羟基喹啉; 4-喹啉醇

Database IDs

• CAS Number: 611-36-9
• EC Number: 210-268-2
• MDL Number: MFCD00006777
• Beilstein Number: 2900; 1524969
• PubChem SID: 24879129; 24895711; 162033882
• PubChem CID: 69141

CALCULATED PROPERTIES

• Acid pKa: 10.627154
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8265809
• LogD (pH = 7.4): 1.8270723
• Log P: 1.8273351
• Molar Refractivity: 41.9602 cm^3
• Polarizability: 17.59443 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200-202 °C(lit.); 200-204 °C; 200-206°C; 201-205°C; 202 - 204°C
• Hydrophobicity(logP): 0.282

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT; Irritant/Air Sensitive/Store under Argon
• RTECS: VC4070000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 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: ≥97.0% (NT); 95%; 95+%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C9H7NO

DETAILS

MP Biomedicals - 02157500

(4-Hydroxy-1-azanaphthalene)

Sigma Aldrich - H58005

Packaging
1, 5, 10 g in glass bottle