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115726-26-6

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Basic Information
CAS No.: 115726-26-6
Name: 2-AMINO-6-NITROQUINOXALINE
Molecular Structure:
Molecular Structure of 115726-26-6 (2-AMINO-6-NITROQUINOXALINE)
Formula: C8H6N4O2
Molecular Weight: 190.161
Synonyms: 2-AMINO-6-NITROQUINOXALINE
Density: 1.532 g/cm3
Melting Point: 303-306 °C
Boiling Point: 398.6 °C at 760 mmHg
Flash Point: 194.9 °C
PSA: 97.62000
LogP: 2.22460
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Specification

This chemical is called 2-Quinoxalinamine, 6-nitro-, and its CAS registry number is 115726-26-6. With the molecular formula of C8H6N4O2, its molecular weight is 190.16. Additionally, its product category is API Intermediates.

Other characteristics of the 2-Quinoxalinamine, 6-nitro- can be summarised as followings: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.81; (6)ACD/BCF (pH 7.4): 6.81; (7)ACD/KOC (pH 5.5): 137.44; (8)ACD/KOC (pH 7.4): 137.45; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.84 Å2; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 51.05 cm3; (15)Molar Volume: 124.1 cm3; (16)Polarizability: 20.24×10-24cm3; (17)Surface Tension: 88.5 dyne/cm; (18)Density: 1.532 g/cm3; (19)Flash Point: 194.9 °C; (20)Enthalpy of Vaporization: 64.92 kJ/mol; (21)Boiling Point: 398.6 °C at 760 mmHg; (22)Vapour Pressure: 1.46E-06 mmHg at 25°C.

Production method of this chemical: The 2-Quinoxalinamine, 6-nitro- could be obtained by the reactant of 2-chloro-6-nitro-quinoxaline. This reaction needs the reagent of NH3, and the solvent of methanol. The yield is 93 %. In addition, this reaction should be taken for 8 hours at the temperature of 130 °C.

The 2-Quinoxalinamine, 6-nitro- could be obtained by the reactant of 2-chloro-6-nitro-quinoxaline

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1ccc2nc(cnc2c1)N
2.InChI: InChI=1/C8H6N4O2/c9-8-4-10-7-3-5(12(13)14)1-2-6(7)11-8/h1-4H,(H2,9,11)
3.InChIKey: QEPYYXCOFZEGNZ-UHFFFAOYAX