ethyl quinoxaline-2-carboxylate

• ChemBase ID: 147949
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: CCOC(=O)c1cnc2ccccc2n1
• Canonical SMILES: CCOC(=O)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C11H10N2O2/c1-2-15-11(14)10-7-12-8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3
• InChIKey: HZMKSGSOBKQGJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl quinoxaline-2-carboxylate
• IUPAC Traditional name: ethyl quinoxaline-2-carboxylate
• Synonyms: Ethyl 2-quinoxalinecarboxylate; 2-喹喔啉羧酸乙酯

Database IDs

• CAS Number: 7065-23-8
• MDL Number: MFCD00010623
• PubChem SID: 162242130; 24857381
• PubChem CID: 582701

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8452125
• LogD (pH = 7.4): 1.8452137
• Log P: 1.8452137
• Molar Refractivity: 53.8523 cm^3
• Polarizability: 22.328224 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81-83 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C11H10N2O2

DETAILS

Sigma Aldrich - 289051

Packaging
1 g in glass bottle