Basic information
- Name:
Quinoxaline,6,7-dichloro-
- CAS No.:
19853-64-6
- Molecular Structure:
- Formula:
- C8H4Cl2N2
- Molecular Weight:
- 199.0396
- Synonyms:
- 6,7-Dichloroquinoxaline;
- Density:
- 1.486 g/cm3
- Boiling Point:
- 315.2 °C at 760 mmHg
- Flash Point:
- 173.6 °C
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Specification
The Quinoxaline,6,7-dichloro-, with the CAS registry number 19853-64-6, is also known as 6,7-Dichloro-quinoxaline. This chemical's molecular formula is C8H4Cl2N2 and molecular weight is 199.04. What's more, its systematic name is called 6,7-Dichloroquinoxaline.
Physical properties about Quinoxaline,6,7-dichloro- are: (1) ACD/LogP: 2.78; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.78; (4) ACD/LogD (pH 7.4): 2.78; (5) ACD/BCF (pH 5.5): 76.05; (6) ACD/BCF (pH 7.4): 76.05; (7) ACD/KOC (pH 5.5): 772.88; (8) ACD/KOC (pH 7.4): 772.88; (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: 1.67; (14) Molar Refractivity: 50.06 cm3; (15) Molar Volume: 133.8 cm3; (16) Surface Tension: 59 dyne/cm; (17) Density: 1.486 g/cm3; (18) Flash Point: 173.6 °C; (19) Enthalpy of Vaporization: 53.42 kJ/mol; (20) Boiling Point: 315.2 °C at 760 mmHg; (21) Vapour Pressure: 0.000822 mmHg at 25 °C.
Preparation of Quinoxaline,6,7-dichloro-: this chemical can be prepared by 4,5-Dichloro-benzene-1,2-diamine with 1,2-Dihydroxy-ethane-1,2-disulfonic acid; disodium salt. This reaction needs reagent H2O at temperature of 70 °C. The reaction time is 1 hour. The yield is 78 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2nccnc2cc1Cl
(2) InChI: InChI=1/C8H4Cl2N2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h1-4H
(3) InChIKey: YAVWRUWYXLAQRT-UHFFFAOYAD