quinolin-6-ol

• ChemBase ID: 67474
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: n1cccc2cc(ccc12)O
• Canonical SMILES: Oc1ccc2c(c1)cccn2
• InChI: InChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6,11H
• InChIKey: OVYWMEWYEJLIER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-6-ol
• IUPAC Traditional name: 6-hydroxyquinoline
• Synonyms: 6-Hydroxyquinoline; Quinolin-6-ol; 6-Hydroxyquinoline; 6-Quinolinol; 6-Hydroxyquinoline; 6-Quinolinol; quinolin-6-ol; 6-喹啉醇; 6-羟基喹啉; 6-羟基喹啉; 6-喹啉醇

Database IDs

• CAS Number: 580-16-5
• EC Number: 209-454-6
• MDL Number: MFCD00047611
• Beilstein Number: 113196
• PubChem SID: 24858373; 24879136; 162033209
• PubChem CID: 11374

CALCULATED PROPERTIES

• Acid pKa: 9.731149
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7708883
• LogD (pH = 7.4): 1.8243091
• Log P: 1.8273351
• Molar Refractivity: 41.9602 cm^3
• Polarizability: 17.593046 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188-190 °C(lit.); 192-194°C; 192-196 °C; 193 - 195°C
• Hydrophobicity(logP): 2.077

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: VC4130000; VC4200000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:22
• Safety Statements: 26-36; S:36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (HPLC); 95%; 95+%
• Grade: technical
• Empirical Formula (Hill Notation): C9H7NO

DETAILS

MP Biomedicals - 05215574

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 304484

Packaging
25 g in poly bottle
5 g in glass bottle