- 1H-Isoindole-1,3(2H)-diimine
- 1H-Isoindole-1,3(2H)-dione, 2-(10-bromodecyl)-
- 1H-Isoindole-1,3(2H)-dione, 2-acetyl-4-nitro-
- 1H-Isoindole-1,3(2H)-dione, hexahydro-5-phenyl-, (3aS,5R,7aR)-
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| Name |
1H-Isoindole-1,3(2H)-dione, 2-acetyl-4-nitro- |
EINECS | N/A |
| CAS No. | 6637-55-4 | Density | 1.607 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H6N2O5 | Boiling Point | 450 °C at 760 mmHg |
| Molecular Weight | 234.168 | Flash Point | 225.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC52672;2-Acetyl-4-nitro-1h-isoindole-1,3(2H)-dione; |
1H-Isoindole-1,3(2H)-dione, 2-acetyl-4-nitro- Specification
With the CAS registry number 6637-55-4, the IUPAC name of 1H-Isoindole-1,3(2H)-dione, 2-acetyl-4-nitro- is 2-acetyl-4-nitroisoindole-1,3-dione. In addition, its molecular formula is C10H6N2O5 and its molecular weight is 234.165.
The other characteristics of 1H-Isoindole-1,3(2H)-dione, 2-acetyl-4-nitro- can be summarized as: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 100.27 Å2; (7)Index of Refraction: 1.654; (8)Molar Refractivity: 53.39 cm3; (9)Molar Volume: 145.6 cm3; (10)Polarizability: 21.16×10-24cm3; (11)Surface Tension: 76.9 dyne/cm; (12)Density: 1.607 g/cm3; (13)Flash Point: 225.9 °C; (14)Enthalpy of Vaporization: 70.87 kJ/mol; (15)Boiling Point: 450 °C at 760 mmHg; (16)Vapour Pressure: 2.74E-08 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: [O-][N+](=O)c2cccc1C(=O)N(C(=O)c12)C(=O)C
(2)InChI: InChI=1/C10H6N2O5/c1-5(13)11-9(14)6-3-2-4-7(12(16)17)8(6)10(11)15/h2-4H,1H3
(3)InChIKey: NOVSWSHOJUDPRJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H6N2O5/c1-5(13)11-9(14)6-3-2-4-7(12(16)17)8(6)10(11)15/h2-4H,1H3
(5)Std. InChIKey: NOVSWSHOJUDPRJ-UHFFFAOYSA-N
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