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CAS No.: | 59489-31-5 |
---|---|
Name: | 2,7-DICHLORO-QUINOXALINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H4Cl2N2 |
Molecular Weight: | 199.039 |
Synonyms: | 2,7-Dichloroquinoxaline; |
Density: | 1.486 g/cm3 |
Melting Point: | 141 °C |
Boiling Point: | 290.5 °C at 760 mmHg |
Flash Point: | 157.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 25.78000 |
LogP: | 2.93660 |
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This chemical is called Quinoxaline,2,7-dichloro-, and its systematic name is 2,7-dichloroquinoxaline. With the molecular formula of C8H4Cl2N2, its molecular weight is 199.04. The CAS registry number of this chemical is 59489-31-5.
Other characteristics of the Quinoxaline,2,7-dichloro- can be summarised as followings: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.59; (6)ACD/BCF (pH 7.4): 114.59; (7)ACD/KOC (pH 5.5): 1036.42; (8)ACD/KOC (pH 7.4): 1036.42; (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)Polarizability: 19.84×10-24cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.486 g/cm3; (19)Flash Point: 157.1 °C; (20)Enthalpy of Vaporization: 50.86 kJ/mol; (21)Boiling Point: 290.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0036 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc2nc(Cl)cnc2cc1
2.InChI: InChI=1/C8H4Cl2N2/c9-5-1-2-6-7(3-5)12-8(10)4-11-6/h1-4H
3.InChIKey: YNASAKVGUCRNEP-UHFFFAOYAU