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2,3-Dichloroquinoxaline

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Name

2,3-Dichloroquinoxaline

EINECS 218-667-3
CAS No. 2213-63-0 Density 1.487 g/cm3
PSA 25.78000 LogP 2.93660
Solubility Insoluble in water Melting Point 152-154 °C(lit.)
Formula C8H4Cl2N2 Boiling Point 269.742 °C at 760 mmHg
Molecular Weight 199.039 Flash Point 142.935 °C
Transport Information N/A Appearance solid
Safety 26-36/37/39-45-28 Risk Codes 25-36/37/38
Molecular Structure Molecular Structure of 2213-63-0 (2,3-Dichloroquinoxaline) Hazard Symbols ToxicT
Synonyms

2,3-Dichloroquinoxaline,96%;NSC 33437;

Article Data 87

2,3-Dichloroquinoxaline Consensus Reports

Reported in EPA TSCA Inventory.

2,3-Dichloroquinoxaline Specification

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 %.

2,3-Dichloroquinoxaline can be prepared by 1,4-Dihydro-quinoxaline-2,3-dione.

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 %.

2,3-Dichloroquinoxaline can react with 2-amino-benzenethiol to get 12H-benzo[5,6][1,4]thiazino[2,3-b]quinoxaline.

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,

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