quinolin-5-ol

• ChemBase ID: 67472
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: n1cccc2c(cccc12)O
• Canonical SMILES: Oc1cccc2c1cccn2
• InChI: InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
• InChIKey: GYESAYHWISMZOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-5-ol
• IUPAC Traditional name: 5-hydroxyquinoline
• Synonyms: 5-Hydroxyquinoline; Quinolin-5-ol; 5-Hydroxyquinoline; 5-Quinolinol; 5-Quinolinol; NSC 405729; quinolin-5-ol; 5-Hydroxyquinoline; 5-羟基喹啉; 5-喹啉醇; 5-羟基喹啉

Database IDs

• CAS Number: 578-67-6
• EC Number: 209-428-4
• MDL Number: MFCD00006792
• Beilstein Number: 114514
• PubChem SID: 162033207; 24847876; 24879133
• PubChem CID: 11360

CALCULATED PROPERTIES

• Acid pKa: 8.755698
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6942419
• LogD (pH = 7.4): 1.8051145
• Log P: 1.8273351
• Molar Refractivity: 41.9602 cm^3
• Polarizability: 17.596296 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Pale Brown Solid
• Melting Point: 203-208°C (dec.); 223 - 226°C; 223-226 °C(lit.); 223-226°C
• Hydrophobicity(logP): 2.077

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT; Irritant
• RTECS: VC4100000
• 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+%; 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C9H7NO

DETAILS

Sigma Aldrich - 128791

Packaging
1 g in glass bottle
250 mg in glass bottle