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Name |
5-nitroisoindoline |
EINECS | N/A |
CAS No. | 46053-72-9 | Density | 1.298 g/cm3 |
PSA | 57.85000 | LogP | 2.05000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8N2O2 | Boiling Point | 292.5 °C at 760 mmHg |
Molecular Weight | 164.164 | Flash Point | 130.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-nitro-2,3-dihydro-1H-isoindole; |
Article Data | 13 |
The 5-nitroisoindoline has the CAS registry number 46053-72-9. This chemical's molecular formula is C8H8N2O2 and molecular weight is 164.16. Its systematic name is called 5-nitro-2,3-dihydro-1H-isoindole.
Physical properties of 5-nitroisoindoline: (1)ACD/LogP: 0.74; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.608; (6)Molar Refractivity: 43.7 cm3; (7)Molar Volume: 126.3 cm3; (8)Surface Tension: 53.4 dyne/cm; (9)Density: 1.298 g/cm3; (10)Flash Point: 130.7 °C; (11)Enthalpy of Vaporization: 53.2 kJ/mol; (12)Boiling Point: 292.5 °C at 760 mmHg; (13)Vapour Pressure: 0.00183 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)CNC2
(2)InChI: InChI=1/C8H8N2O2/c11-10(12)8-2-1-6-4-9-5-7(6)3-8/h1-3,9H,4-5H2
(3)InChIKey: UYSFPRNOPWMPJW-UHFFFAOYAQ