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| CAS No.: | 5022-29-7 |
|---|---|
| Name: | N-ETHYLPHTHALIMIDE |
| Article Data: | 77 |
| Molecular Structure: | |
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| Formula: | C10H9NO2 |
| Molecular Weight: | 175.187 |
| Synonyms: | Phthalimide,N-ethyl- (6CI,7CI,8CI);2-Ethylisoindoline-1,3-dione;N-Ethylphthalimide;NSC2774; |
| EINECS: | 225-707-3 |
| Density: | 1.249 g/cm3 |
| Melting Point: | 73-77 °C |
| Boiling Point: | 285.5 °C at 760 mmHg |
| Flash Point: | 121.8 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 37.38000 |
| LogP: | 1.24040 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
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%.
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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%.
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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. |