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CAS No.: | 28453-24-9 |
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Name: | 2,4,5,7-tetranitro-9H-carbazole |
Molecular Structure: | |
Formula: | C12H5N5O8 |
Molecular Weight: | 347.197 |
Synonyms: | Carbazole,tetranitro- (7CI,8CI);Tetranitrocarbazole;9H-Carbazole,tetranitro- (9CI); |
Density: | 1.893 g/cm3 |
Boiling Point: | 650.5 °C at 760 mmHg |
Flash Point: | 347.2°C |
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The 2,4,5,7-Tetranitrocarbazole, with the CAS registry number 28453-24-9, is also known as Tetranitrocarbazole. This chemical's molecular formula is C12H5N5O8 and formula weight is 347.197. What's more, its IUPAC name is 2,4,5,7-tetranitro-9H-carbazole.
Physical properties of 2,4,5,7-Tetranitrocarbazole are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 13; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 188.21 Å2; (7)Index of Refraction: 1.859; (8)Molar Refractivity: 82.55 cm3; (9)Molar Volume: 183.3 cm3; (10)Surface Tension: 111.9 dyne/cm; (11)Density: 1.893 g/cm3; (12)Flash Point: 347.2 °C; (13)Enthalpy of Vaporization: 92.4 kJ/mol; (14)Boiling Point: 650.5 °C at 760 mmHg; (15)Vapour Pressure: 4.34E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
(2)InChI: InChI=1S/C12H5N5O8/c18-14(19)5-1-7-11(9(3-5)16(22)23)12-8(13-7)2-6(15(20)21)4-10(12)17(24)25/h1-4,13H
(3)InChIKey: VSMSIASZXNTHEN-UHFFFAOYSA-N