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78470-95-8

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Basic Information
CAS No.: 78470-95-8
Name: 2-HYDROXY-6,7-DICHLOROQUINOXALINE
Article Data: 30
Molecular Structure:
Molecular Structure of 78470-95-8 (2-HYDROXY-6,7-DICHLOROQUINOXALINE)
Formula: C8H4Cl2N2O
Molecular Weight: 215.039
Synonyms: 2-Quinoxalinol,6,7-dichloro- (6CI);6,7-Dichloroquinoxalin-2(1H)-one;6,7-Dichloro-2-hydroxyquinoxaline;
Density: 1.65 g/cm3
Boiling Point: 429.7 °C at 760 mmHg
Flash Point: 213.6 °C
PSA: 46.01000
LogP: 2.64220
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Specification

The 2(1H)-Quinoxalinone,6,7-dichloro- is an organic compound with the formula C8H4Cl2N2O. The systematic name of this chemical is 6,7-dichloroquinoxalin-2(1H)-one. With the CAS registry number 78470-95-8, it is also named as 2-Hydroxy-6,7-dichloroquinoxaline.

Physical properties about 2(1H)-Quinoxalinone,6,7-dichloro- are: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 32.21; (5)ACD/BCF (pH 7.4): 11.71; (6)ACD/KOC (pH 5.5): 415.14; (7)ACD/KOC (pH 7.4): 150.9; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.46 Å2; (11)Index of Refraction: 1.706; (12)Molar Refractivity: 50.47 cm3; (13)Molar Volume: 129.6 cm3; (14)Polarizability: 20×10-24cm3; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.65 g/cm3; (17)Flash Point: 213.6 °C; (18)Enthalpy of Vaporization: 71.15 kJ/mol; (19)Boiling Point: 429.7 °C at 760 mmHg; (20)Vapour Pressure: 5.5E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2NC(=O)/C=N\c2cc1Cl
(2)InChI: InChI=1/C8H4Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13)
(3)InChIKey: BDVJLKWSNDCCPL-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H4Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13)
(5)Std. InChIKey: BDVJLKWSNDCCPL-UHFFFAOYSA-N