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| CAS No.: | 3891-07-4 |
|---|---|
| Name: | N-Hydroxyethylphthalimide |
| Molecular Structure: | |
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| Formula: | C10H9NO3 |
| Molecular Weight: | 191.186 |
| Synonyms: | Phthalimide,N-(2-hydroxyethyl)- (6CI,7CI,8CI);2-(2-Hydroxyethyl)isoindole-1,3-dione;2-(2-hydroxyethyl)-1H-isoindole-1,3(2H)-dione;2-(N-Phthalimidyl)ethyl alcohol;N-(2-Hydroxyethyl)phthalimide;NSC 2773;NSC 50624; |
| EINECS: | 223-434-4 |
| Density: | 1.388 g/cm3 |
| Melting Point: | 126-129 °C |
| Boiling Point: | 356.5 °C at 760 mmHg |
| Flash Point: | 169.4 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 22-26-36/37/39-24/25 |
| PSA: | 57.61000 |
| LogP: | 0.21280 |
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Specification
The IUPAC name of 1H-Isoindole-1,3(2H)-dione,2-(2-hydroxyethyl)- is 2-(2-hydroxyethyl)isoindole-1,3-dione. With the CAS registry number 3891-07-4, it is also named as 2-Phthalimidoethanol. The product's categories are N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides, and the other registry number is 143811-65-8. Besides, it is white crystalline powder, which should be sealed in a dark, ventilated and dry place. In addition, its molecular formula is C10H9NO3 and molecular weight is 191.19.
The other characteristics of this product can be summarized as: (1)EINECS: 223-434-4; (2)ACD/LogP: 0.93; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.93; (5)ACD/LogD (pH 7.4): 0.93; (6)ACD/BCF (pH 5.5): 2.99; (7)ACD/BCF (pH 7.4): 2.99; (8)ACD/KOC (pH 5.5): 76.23; (9)ACD/KOC (pH 7.4): 76.23; (10)#H bond acceptors: 4; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 48.5 cm3; (15)Molar Volume: 137.6 cm3; (16)Surface Tension: 61.9 dyne/cm; (17)Density: 1.388 g/cm3; (18)Flash Point: 169.4 °C; (19)Melting point: 126-129 °C; (20)Enthalpy of Vaporization: 63.5 kJ/mol; (21)Boiling Point: 356.5 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-05 mmHg at 25 °C.
Preparation of 1H-Isoindole-1,3(2H)-dione,2-(2-hydroxyethyl)-: this chemical can be prepared by 2-chloro-ethanol and phthalimide; potassium salt.
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This reaction needs dimethylformamide at temperature of 60 °C. The yield is 63 %.
Uses of 1H-Isoindole-1,3(2H)-dione,2-(2-hydroxyethyl)-: this chemical is used as an intermediate of dyes, pigments and pharmaceutical. Additionally, it can react with formic acid to get formic acid-(2-phthalimido-ethyl ester).
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This reaction will occur by heating for 2 hours. The yield is 84 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes. Moreover, please do not breathe dust.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCO
(2)InChI: InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2
(3)InChIKey: MWFLUYFYHANMCM-UHFFFAOYSA-N