quinolin-2-ol

• ChemBase ID: 78331
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: n1c(ccc2ccccc12)O
• Canonical SMILES: Oc1ccc2c(n1)cccc2
• InChI: InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
• InChIKey: LISFMEBWQUVKPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-2-ol
• IUPAC Traditional name: α-hydroxyquinoline
• Synonyms: 2-Hydroxyquinoline; 2-Hydroxyquinoline 99%; Carbostyril; 2-Quinolinol; 2-Quinolinol; 2-Hydroxyquinoline; CARBOSTYRIL; 2-喹啉醇; 2-羟基喹啉; 2-羟基喹啉; 喹诺酮; 2-喹啉醇

Database IDs

• CAS Number: 59-31-4; 70254-42-1
• EC Number: 200-420-6; 274-516-1
• MDL Number: MFCD00006743
• Beilstein Number: 2855
• Merck Index: 141825
• PubChem SID: 162043100; 24856409; 24879121
• PubChem CID: 6038

CALCULATED PROPERTIES

• Acid pKa: 11.890634
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.421701
• LogD (pH = 7.4): 2.4217777
• Log P: 2.4217927
• Molar Refractivity: 42.2737 cm^3
• Polarizability: 17.596376 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195-198 °C; 196-199°C; 198-199 °C(lit.); 198-200°C

Safety Information

• Storage Warning: Harmful/Irritant
• RTECS: FG7175000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36; 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; 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: ≥95.0%; 98%; 99%
• Empirical Formula (Hill Notation): C9H7NO

DETAILS

MP Biomedicals - 05215241

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 270873

Packaging
1 g in glass bottle
5 g in poly bottle