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CAS No.: | 7483-33-2 |
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Name: | 2-Quinoxalinecarbonitrile(7CI,8CI,9CI) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H5N3 |
Molecular Weight: | 155.159 |
Synonyms: | quinoxaline-2-carbonitrile;2-Cyanoquinoxaline; |
Density: | 1.29 g/cm3 |
Boiling Point: | 329.7 °C at 760 mmHg |
Flash Point: | 117 °C |
PSA: | 49.57000 |
LogP: | 1.50148 |
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The 2-Quinoxalinecarbonitrile, with the CAS registry number 7483-33-2, is also known as 2-Cyanoquinoxaline. It belongs to the product category of Quinoxaline. This chemical's molecular formula is C9H5N3 and molecular weight is 155.16. What's more, its systematic name is quinoxaline-2-carbonitrile.
Physical properties of 2-Quinoxalinecarbonitrile are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.66; (6)ACD/BCF (pH 7.4): 2.66; (7)ACD/KOC (pH 5.5): 70.18; (8)ACD/KOC (pH 7.4): 70.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 49.57 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 44.47 cm3; (15)Molar Volume: 120.1 cm3; (16)Polarizability: 17.63×10-24 cm3; (17)Surface Tension: 71.1 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 117 °C; (20)Enthalpy of Vaporization: 57.22 kJ/mol; (21)Boiling Point: 329.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000175 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: N#Cc1nc2ccccc2nc1
(2)InChI: InChI=1/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H
(3)InChIKey: IVYZWJPQNNZOHV-UHFFFAOYAM