2-methylquinoxaline

• ChemBase ID: 52899
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: c1ccc2c(c1)ncc(n2)C
• Canonical SMILES: Cc1cnc2c(n1)cccc2
• InChI: InChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3
• InChIKey: ALHUXMDEZNLFTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinoxaline
• IUPAC Traditional name: 2-methylquinoxaline
• Synonyms: 2-Methylquinoxaline; 2-Methylquinoxaline; 2-甲基喹喔啉

Database IDs

• CAS Number: 7251-61-8
• EC Number: 230-664-9
• MDL Number: MFCD00006727
• Beilstein Number: 113307
• PubChem SID: 24884575; 24897213; 162057662; 24902061
• PubChem CID: 23686
• Flavis Number: 14.139

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4301697
• LogD (pH = 7.4): 1.4304451
• Log P: 1.4304485
• Molar Refractivity: 42.0419 cm^3
• Polarizability: 17.884357 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 245-247 °C(lit.); 245-247°C
• Flash Point: 107 °C; 107°C(224°F); 224.6 °F
• Density: 1.118; 1.118 g/mL at 25 °C(lit.)
• Refractive Index: 1.6170; n20/D 1.613(lit.); n20/D 1.62

Safety Information

• Storage Warning: IRRITANT
• RTECS: VD3450000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97%; ≥98.0% (GC); 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C9H8N2

DETAILS

Sigma Aldrich - M80202

Packaging
25 g in glass bottle

Sigma Aldrich - W511609

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in poly drum