CAS No.3416-57-7,Phthalimidoacetone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3416-57-7
Name:	Phthalimidoacetone
Article Data:	5

Formula:	C₁₁H₉NO₃
Molecular Weight:	203.197
Synonyms:	a-Phthalimidoacetone;Phthalimide,N-acetonyl- (6CI,7CI,8CI);1-N-Phthalimidopropan-2-one;2-(2-Oxopropyl)isoindole-1,3-dione;N-(2-Oxopropyl)phthalimide;N-Acetonylphthalimide;NSC 35996;Phthalimidoacetone;
Density:	1.321 g/cm³
Melting Point:	123 °C
Boiling Point:	341.1 °C at 760 mmHg
Flash Point:	157.1 °C
Appearance:	White solid
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	54.45000
LogP:	0.80950

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Specification

The 2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione, with CAS registry number 3416-57-7, belongs to the following product categories: (1)N-Substituted Maleimides, Succinimides & Phthalimides; (2)N-Substituted Phthalimides; (3)Aromatics; (4)Heterocycles; (5)Miscellaneous Reagents. It has the systematic name of 2-(2-oxopropyl)-1H-isoindole-1,3(2H)-dione. This chemical is a kind of white solid. And the chemical formula of this chemical is C₁₁H₉NO₃.

Physical properties of 2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 54.45 Å²; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 51.63 cm³; (9)Molar Volume: 153.7 cm³; (10)Polarizability: 20.46×10^-24cm³; (11)Surface Tension: 52.7 dyne/cm; (12)Density: 1.321 g/cm³; (13)Flash Point: 157.1 °C; (14)Enthalpy of Vaporization: 58.47 kJ/mol; (15)Boiling Point: 341.1 °C at 760 mmHg; (16)Vapour Pressure: 8.23E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by N-methallyl-phthalimide. This reaction will need reagent Jones reagent and solvents acetone, H₂O. The reaction time is 20 hour(s). The yield is about 85%.

Uses of 2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione: it can be used to produce N-(1,3-dibromo-2-oxo-propyl)-phthalimide. This reaction will need reagents benzene, bromine.

When you are using this chemical, please be cautious about it as the following:
The 2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CC(=O)C
(2)InChI: InChI=1/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3
(3)InChIKey: STMRGLKPBJVVEG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3
(5)Std. InChIKey: STMRGLKPBJVVEG-UHFFFAOYSA-N