| Identification | More | [Name]
2-Chloroquinoxaline | [CAS]
1448-87-9 | [Synonyms]
2-CHLOROQUINOXALINE
2-Chloroquinoxaline ,99% | [EINECS(EC#)]
215-905-8 | [Molecular Formula]
C8H5ClN2 | [MDL Number]
MFCD00043907 | [Molecular Weight]
164.59 | [MOL File]
1448-87-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
47-50 °C (lit.) | [Boiling point ]
100 °C/1.4 mmHg (lit.) | [density ]
1.2847 (rough estimate) | [refractive index ]
1.5500 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Toluene | [form ]
Crystalline Powder | [pka]
-1.21±0.30(Predicted) | [color ]
White to gray | [Detection Methods]
HPLC,NMR | [InChI]
InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H | [InChIKey]
BYHVGQHIAFURIL-UHFFFAOYSA-N | [SMILES]
N1C2C(=CC=CC=2)N=CC=1Cl | [CAS DataBase Reference]
1448-87-9(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xn | [Risk Statements ]
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to grey to purple or light brown powder | [Uses]
2-Chloroquinoxaline (QCI) was used to study the effect of solvent on hydrolysis of QCI in aqueous–organic solvent mixtures with acetonitrile and dimethylesulphoxide. It was used in the synthesis of 2-(3-butynyl-2-methyl-2-ol) quinoxaline.It was used as reagent in the synthesis of chloroquinoxaline sulfamide. | [Synthesis]
The general procedure for the synthesis of 2-chloroquinoxaline from 2-hydroxyquinoxaline is as follows: 2-chloroquinoxaline (1D-008) was efficiently prepared by dissolving 2-hydroxyquinoxaline in pure phosphorus oxychloride (POCl3, 2.3 equiv.) and reacting the reaction under reflux conditions for 1 hour. The reaction has been validated on a 100 g scale, typically yielding 103-105 g of product (98-99% yield). Rapid filtration of the crude reaction mixture through a silica gel pad yields a high purity product (99% purity by LCMS analysis). This reaction has been successfully scaled up to 600 g scale. | [References]
[1] Patent: US2017/143706, 2017, A1. Location in patent: Paragraph 0050; 0106; 0107
[2] Helvetica Chimica Acta, 2001, vol. 84, # 5, p. 1112 - 1118
[3] Heterocycles, 2005, vol. 65, # 1, p. 181 - 185
[4] Heterocycles, 2006, vol. 68, # 9, p. 1973 - 1979
[5] Journal of the Chemical Society, 1945, p. 622,625 |
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