2,3-dichloro-6-nitroquinoxaline

• ChemBase ID: 135819
• Molecular Formular: C8H3Cl2N3O2
• Molecular Mass: 244.03432
• Monoisotopic Mass: 242.96023171
• SMILES: c1cc2c(cc1[N+](=O)[O-])nc(c(n2)Cl)Cl
• Canonical SMILES: [O-][N+](=O)c1ccc2c(c1)nc(c(n2)Cl)Cl
• InChI: InChI=1S/C8H3Cl2N3O2/c9-7-8(10)12-6-3-4(13(14)15)1-2-5(6)11-7/h1-3H
• InChIKey: SFJCUOAQTGDBPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-6-nitroquinoxaline
• IUPAC Traditional name: 2,3-dichloro-6-nitroquinoxaline
• Synonyms: 2,3-Dichloro-6-nitroquinoxaline; 2 3-Dichloro-6-nitroquinoxaline; 2,3-二氯-6-硝基喹喔啉

Database IDs

• CAS Number: 2379-60-4
• MDL Number: MFCD00454905
• PubChem SID: 24882990; 162230090
• PubChem CID: 689090

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8875062
• LogD (pH = 7.4): 2.8875062
• Log P: 2.8875062
• Molar Refractivity: 55.5031 cm^3
• Polarizability: 21.944445 Å^3
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151-155 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-37/38-41
• Safety Statements: 22-26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C8H3Cl2N3O2