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Name |
1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yloxy)- |
EINECS | N/A |
CAS No. | 39020-79-6 | Density | 1.3 g/cm3 |
PSA | 46.61000 | LogP | 1.33810 |
Solubility | N/A | Melting Point |
59.0 to 63.0 °C |
Formula | C11H9NO3 | Boiling Point | 318.2 °C at 760 mmHg |
Molecular Weight | 203.197 | Flash Point | 146.2 °C |
Transport Information | N/A | Appearance | Off-white to white powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Allyloxy)-1H-isoindole-1,3(2H)-dione;2-(Prop-2-en-1-yloxy)-1H-isoindole-1,3(2H)-dione;N-Allyloxyphthalimide;2-Prop-2-enyloxybenzo[c]azoline-1,3-dione; |
Article Data | 14 |
The 1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yloxy)-, with the CAS registry number 39020-79-6, is also known as 2-(Allyloxy)-1H-isoindole-1,3(2H)-dione. It belongs to the product categories of N-Substituted Maleimides; Succinimides & Phthalimides; N-Substituted Phthalimides. This chemical's molecular formula is C11H9NO3 and molecular weight is 203.19. What's more, its systematic name is 2-(prop-2-en-1-yloxy)-1H-isoindole-1,3(2H)-dione.
Physical properties of 1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yloxy)- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.46; (6)ACD/BCF (pH 7.4): 14.46; (7)ACD/KOC (pH 5.5): 235.49; (8)ACD/KOC (pH 7.4): 235.49; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 53.47 cm3; (15)Molar Volume: 155.3 cm3; (16)Polarizability: 21.19×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 55.97 kJ/mol; (21)Boiling Point: 318.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000367 mmHg at 25°C.
Preparation: this chemical can be prepared by N-hydroxy-phthalimide and 3-bromo-propene at the ambient temperature. This reaction will need reagent DBU and solvents dimethylformamide; toluene with the reaction time of 0.5 hour. The yield is about 83%.
Uses of 1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yloxy)-: it can be used to produce O-allyl-hydroxylamine; hydrochloride by heating. It will need reagent hidrazine and solvents H2O, ethanol with the reaction time of 2 hours. The yield is about 56.1%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2OC\C=C
(2)Std. InChI: InChI=1S/C11H9NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-6H,1,7H2
(3)Std. InChIKey: XVKREICBUWCANY-UHFFFAOYSA-N