CAS No.18671-97-1,2,6-Dichloroquinoxaline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	18671-97-1
Name:	2,6-Dichloroquinoxaline
Article Data:	12

Formula:	C₈H₄Cl₂N₂
Molecular Weight:	199.039
Synonyms:	Quinoxaline, 2,6-dichloro- (6CI,7CI,8CI,9CI);
Density:	1.486 g/cm³
Melting Point:	153-157 °C(lit.)
Boiling Point:	278.675 °C at 760 mmHg
Flash Point:	149.078 °C
Solubility:	Insoluble in water, but soluble in benzene and toluene
Appearance:	Crystalline powder
Hazard Symbols:	T,Xn
Risk Codes:	25-41-37/38-22
Safety:	36/37/39-45-26
PSA:	25.78000
LogP:	2.93660

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Specification

2,6-Dichloroquinoxaline is an organic compound with the formula C₈H₄Cl₂N₂, and its systematic name is the same with the product name. With the CAS registry number 18671-97-1, it is also named as Quinoxaline, 2,6-dichloro-. It belongs to the product categories of Quinoline & Isoquinoline; Miscellaneous; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Quinoxalines; Quinoxalines Heterocyclic Building Blocks. In addition, the molecular weight is 199.04. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical is used as intermediate for the production of herbicides.

Physical properties of 2,6-Dichloroquinoxaline are: (1)ACD/LogP: 2.522; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.65; (6)ACD/BCF (pH 7.4): 48.65; (7)ACD/KOC (pH 5.5): 561.32; (8)ACD/KOC (pH 7.4): 561.32; (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: 59.03 dyne/cm; (18)Density: 1.487 g/cm³; (19)Flash Point: 149.078 °C; (20)Enthalpy of Vaporization: 49.652 kJ/mol; (21)Boiling Point: 278.675 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.

Preparation of 2,6-Dichloroquinoxaline: this chemical can be prepared by 6-chloro-1H-quinoxalin-2-one by heating. This reaction will need reagent POCl₃ with the reaction time of 1.5 hours. The yield is about 83%.

2,6-Dichloroquinoxaline can be prepared by 6-chloro-1H-quinoxalin-2-one by heating

Uses of 2,6-Dichloroquinoxaline: it can be used to produce 2-chloro-quinoxaline at the ambient temperature. It will need reagents CsF, molecular sieves 4A, 18-crown-6 and solvent tetrahydrofuran with the reaction time of 20 hours. The yield is about 87%.

2,6-Dichloroquinoxaline can be used to produce 2-chloro-quinoxaline at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and is toxic if swallowed. It is irritating to respiratory system and skin. It has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2nc(Cl)cnc2c1
(2)Std. InChI: InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H
(3)Std. InChIKey: WFOKVKYNVKVWFK-UHFFFAOYSA-N