2-methylquinolin-8-ol

• ChemBase ID: 67942
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: n1c(ccc2cccc(c12)O)C
• Canonical SMILES: Cc1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
• InChIKey: NBYLBWHHTUWMER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinolin-8-ol
• IUPAC Traditional name: 2-methyl 8-quinolonol
• Synonyms: 2-Methylquinolin-8-ol; 2-Methyl-8-quinolinol; 8-Hydroxy-2-methylquinoline; 2-Methyl-8-quinolinol; 8-Hydroxyquinaldine; 8-Hydroxyquinaldine; 8-Hydroxy-2-methylquinoline; 8-羟基-2-甲基喹啉; 8-羟基喹哪啶; 2-甲基-8-羟基喹啉

Database IDs

• CAS Number: 826-81-3
• EC Number: 212-562-6
• MDL Number: MFCD00006765
• Beilstein Number: 119194
• PubChem SID: 162033675; 24879112; 24895707
• PubChem CID: 13224

CALCULATED PROPERTIES

• Acid pKa: 9.375134
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6988455
• LogD (pH = 7.4): 1.9469893
• Log P: 1.9587053
• Molar Refractivity: 46.5517 cm^3
• Polarizability: 19.363688 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-74°C; 71-73 °C; 71-73 °C(lit.); 71-73°C
• Boiling Point: 267 °C(lit.); 267°C; 267°C
• Flash Point: 139 °C; 139°C; 282.2 °F

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: VC7920000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077; UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 36/37/38; 50/53
• Safety Statements: 26; 60-61
• TSCA Listed: false; 是
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H400-H410; H410
• GHS Precautionary statements: P273-P391-P501A; P273-P501
• Personal Protective Equipment: Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥99.0% (NT); 95+%; 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C10H9NO

DETAILS

MP Biomedicals - 05210660

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H57602

Packaging
5, 100, 500 g in glass bottle