2,3-dichloroquinoxaline

• ChemBase ID: 83066
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: n1c2c(nc(c1Cl)Cl)cccc2
• Canonical SMILES: Clc1nc2ccccc2nc1Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
• InChIKey: SPSSDDOTEZKOOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloroquinoxaline
• IUPAC Traditional name: quinoxaline, 2,3-dichloro-
• Synonyms: NSC 33437; 2,3-Dichloroquinoxaline; 2,3-Dichloroquinoxaline; 2,3-二氯喹喔啉

Database IDs

• CAS Number: 2213-63-0
• EC Number: 218-667-3
• MDL Number: MFCD00006720
• Beilstein Number: 126076
• PubChem SID: 24848664; 162070185
• PubChem CID: 16659

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9475222
• LogD (pH = 7.4): 2.9475222
• Log P: 2.9475222
• Molar Refractivity: 49.1826 cm^3
• Polarizability: 19.96933 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151-155°C; 152-154 °C(lit.)

Safety Information

• RTECS: VD1720000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 25-36/37/38
• Safety Statements: 26-36/37/39-45; 26-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥90% (AT); 96%; 98%
• Grade: technical
• Empirical Formula (Hill Notation): C8H4Cl2N2

DETAILS

MP Biomedicals - 05207952

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 144525

Packaging
10 g in glass bottle
50 g in poly bottle

Toronto Research Chemicals - D435955

2,3-Dichloroquinoxaline is a dichlorinated quinoxaline derivative with antimicrobial activity. 2,3-Dichloroquinoxaline is used in the preparation of quinoxaline derivatives of cancer chemopreventive activity.

REFERENCES

• Metzner, J. et al.: Pharmazie, 36, 368 (1981)
• Galal, S.A> et al.: Eur. J. Med. Chem., 46, 327 (1981)