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Name |
1H-Isoindole-1,3(2H)-dione,2-(3-methylphenyl)- |
EINECS | N/A |
CAS No. | 2314-76-3 | Density | 1.296 g/cm3 |
PSA | 37.38000 | LogP | 2.86060 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H11NO2 | Boiling Point | 418.4 °C at 760 mmHg |
Molecular Weight | 237.258 | Flash Point | 197 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-M-TOLYLPHTHALIMIDE;2-(3-methylphenyl)isoindole-1,3-dione;2-(3-methylphenyl)isoindoline-1,3-quinone |
Article Data | 24 |
The 1H-Isoindole-1,3(2H)-dione,2-(3-methylphenyl)-, with the CAS registry number of 2314-76-3, is also known as 2-(3-Methylphenyl)isoindoline-1,3-quinone. This chemical's molecular formula is C15H11NO2 and molecular weight is 237.25. What's more, its IUPAC name is 2-(3-Methylphenyl)isoindole-1,3-dione.
Physical properties about the 1H-Isoindole-1,3(2H)-dione,2-(3-methylphenyl)- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.38 ?2; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 66.91 cm3; (9)Molar Volume: 183 cm3; (10)Surface Tension: 56.2 dyne/cm; (11)Density: 1.296 g/cm3; (12)Flash Point: 197 °C; (13)Enthalpy of Vaporization: 67.19 kJ/mol; (14)Boiling Point: 418.4 °C at 760 mmHg; (15)Vapour Pressure: 3.29E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1C(=O)N2c3cc(ccc3)C
(2) InChI: InChI=1/C15H11NO2/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(16)18/h2-9H,1H3
(3) InChIKey: FKKIPNKONXXQNE-UHFFFAOYAK