quinoxalin-2-ol

• ChemBase ID: 67955
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: n1c(cnc2ccccc12)O
• Canonical SMILES: Oc1cnc2c(n1)cccc2
• InChI: InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
• InChIKey: FFRYUAVNPBUEIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoxalin-2-ol
• IUPAC Traditional name: quinoxalin-2-ol
• Synonyms: 2-Quinoxalinol; 2-Hydroxyquinoxaline; 2-Quinoxalinol; 2-HYDROXY QUINOXALINE; 2-羟基喹喔啉

Database IDs

• CAS Number: 1196-57-2
• EC Number: 214-815-6
• MDL Number: MFCD00006722
• PubChem SID: 24855756; 162033688
• PubChem CID: 14526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5899272
• LogD (pH = 7.4): 1.5899472
• Log P: 1.5899706
• Molar Refractivity: 39.7448 cm^3
• Polarizability: 16.672455 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 11.674929

PROPERTIES

Physical Property

• Melting Point: 271-272 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• RTECS: VD3630000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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+%; 99%
• Empirical Formula (Hill Notation): C8H6N2O

DETAILS

MP Biomedicals - 05224990

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 260517

Packaging
100 g in glass bottle