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| CAS No.: | 2518-24-3 |
|---|---|
| Name: | 3-Aminophthalimide |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H6N2O2 |
| Molecular Weight: | 162.148 |
| Synonyms: | Phthalimide,3-amino- (8CI);3-Aminophthalimide;4-Amino-1,3-dioxo-2,3-dihydro-1H-isoindole;4-Amino-1H-isoindole-1,3(2H)-dione; |
| Density: | 1.476 g/cm3 |
| Melting Point: | 268.5-273.5 °C |
| Boiling Point: | 288.82°C (rough estimate) |
| Appearance: | yellow fine powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-42/43 |
| Safety: | 22-26-36/37-45 |
| PSA: | 72.19000 |
| LogP: | 1.06240 |
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Specification
The CAS register number of 3-Aminophthalimide is 2518-24-3. It also can be called as 1H-Isoindole-1,3(2H)-dione, 4-amino- and the systematic name about this chemical is 4-aminoisoindole-1,3-dione.
Physical properties about 3-Aminophthalimide are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.19; (8)ACD/KOC (pH 7.4): 20.16; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.62Å2; (13)Index of Refraction: 1.683; (14)Molar Refractivity: 41.66 cm3; (15)Molar Volume: 109.8 cm3; (16)Surface Tension: 71.1 dyne/cm; (17)Density: 1.476 g/cm3.
Uses of 3-Aminophthalimide: It reacts to get 5-amino-2,3-dihydro-phthalazine-1,4-dione. This reaction needs solvent toluene. The reaction time is 24 hours. The yield is 74 %.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It may be cause sensitization by inhalation and skin contact. People do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1.SMILES: O=C2c1c(cccc1C(=O)N2)N
2.InChI: InChI=1/C8H6N2O2/c9-5-3-1-2-4-6(5)8(12)10-7(4)11/h1-3H,9H2,(H,10,11,12)
3.InChIKey: GQBONCZDJQXPLV-UHFFFAOYAM
4.Std. InChI: InChI=1S/C8H6N2O2/c9-5-3-1-2-4-6(5)8(12)10-7(4)11/h1-3H,9H2,(H,10,11,12)