N-ETHYLPHTHALIMIDE

Reported in EPA TSCA Inventory.

The N-Ethylphthalimide is an organic compound with the formula C₁₀H₉NO₂. The IUPAC name of this chemical is 2-ethylisoindole-1,3-dione. With the CAS registry number 5022-29-7, it is also named as 1H-Isoindole-1,3(2H)-dione, 2-ethyl-. Besides, it is a white crystalline powder, which should be stored in a dark cool and dry place.

Physical properties about N-Ethylphthalimide are: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): 2.09; (3)ACD/LogD (pH 7.4): 2.09; (4)ACD/BCF (pH 5.5): 22.71; (5)ACD/BCF (pH 7.4): 22.71; (6)ACD/KOC (pH 5.5): 325.42; (7)ACD/KOC (pH 7.4): 325.42; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.38 Å²; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 46.96 cm³; (13)Molar Volume: 140.1 cm³; (14)Polarizability: 18.62×10^-24cm³; (15)Surface Tension: 48.1 dyne/cm; (16)Density: 1.249 g/cm³; (17)Flash Point: 121.8 °C; (18)Enthalpy of Vaporization: 52.45 kJ/mol; (19)Boiling Point: 285.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00279 mmHg at 25°C.

Preparation: this chemical can be prepared by N,N'-diethyl-phthalamide. This reaction is a kind of Cyclization. This reaction will need reagent HCl. The reaction temperature is 20 °C. The yield is about 100%.

Uses of N-Ethylphthalimide: it can be used to produce 2-(1-bromo-ethyl)-isoindole-1,3-dione by heating. It will need reagent N-bromosuccinimide and solvent CCl₄ with reaction time of 4 hours. The yield is about 71%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of 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
(2)InChI: InChI=1/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3
(3)InChIKey: JZDSOQSUCWVBMV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3
(5)Std. InChIKey: JZDSOQSUCWVBMV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	320mg/kg (320mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04571,
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 23, 1953.