2,3-Dichloroquinoxaline

Reported in EPA TSCA Inventory.

The 2,3-Dichloroquinoxaline, with the CAS registry number 2213-63-0, is also known as Quinoxaline, 2,3-dichloro-. It belongs to the product categories of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Quinoxalines; Quinoxalines Heterocyclic Building Blocks. Its EINECS registry number is 218-667-3. This chemical's molecular formula is C₈H₄Cl₂N₂ and molecular weight is 199.04. What's more, its IUPAC name is the same with product name. It should be stored in a cool, dry and sealed place.

Physical properties about 2,3-Dichloroquinoxaline are: (1)ACD/LogP: 2.969; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.35; (6)ACD/BCF (pH 7.4): 106.35; (7)ACD/KOC (pH 5.5): 982.50; (8)ACD/KOC (pH 7.4): 982.50; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 50.068 cm³; (15)Molar Volume: 133.898 cm³; (16)Polarizability: 19.849×10^-24cm³; (17)Surface Tension: 59.027 dyne/cm; (18)Density: 1.487 g/cm³; (19)Flash Point: 142.935 °C; (20)Enthalpy of Vaporization: 48.743 kJ/mol; (21)Boiling Point: 269.742 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25 °C.

Preparation of 2,3-Dichloroquinoxaline: this chemical can be prepared by 1,4-Dihydro-quinoxaline-2,3-dione. This reaction needs reagents DMF and solvent CHCl₃ at temperature of 100 °C. The reaction time is 3 hours. The yield is 85 %.

Uses of 2,3-Dichloroquinoxaline: it is used to produce other chemicals. For example, it can react with 2-amino-benzenethiol to get 12H-benzo[5,6][1,4]thiazino[2,3-b]quinoxaline. The reaction occurs with solvent ethanol and other condition of heating for 15 min. The yield is 90 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. It is toxic if swallowed. In addition, it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)nc(c(n2)Cl)Cl
(2) InChI: InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
(3) InChIKey: SPSSDDOTEZKOOV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	5600ug/kg (5.6mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03256,
rat	LD50	oral	195mg/kg (195mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: PERITONITIS	National Technical Information Service. Vol. OTS0534573,