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| CAS No.: | 27813-21-4 |
|---|---|
| Name: | cis-1,2,3,6-Tetrahydrophthalimide |
| Molecular Structure: | |
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| Formula: | C8H9NO2 |
| Molecular Weight: | 151.16 |
| Synonyms: | 4,5,6,7-tetrahydroisoindole-1,3-dione;Phthalimide, tetrahydro-; |
| EINECS: | 248-667-9 |
| Density: | 1.275 g/cm3 |
| Melting Point: | 129-133 °C(lit.) |
| Boiling Point: | 324.34 °C at 760 mmHg |
| Flash Point: | 158.09 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: | R20/21:Harmful by inhalation and in contact with skin.; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| PSA: | 46.17000 |
| LogP: | 0.55400 |
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Specification
The CAS register number of is cis-1,2,3,6-Tetrahydrophthalimide is 27813-21-4. It also can be called as 1H-Isoindole-1,3(2H)-dione, tetrahydro- and the systematic name about this chemical is 4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione. The molecular formula about this chemical is C8H9NO2 and the molecular weight is 151.17. It belongs to the Pharmaceutical Intermediates.
Physical properties about is cis-1,2,3,6-Tetrahydrophthalimide are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 6.03; (5)ACD/BCF (pH 7.4): 5.98; (6)ACD/KOC (pH 5.5): 125.94; (7)ACD/KOC (pH 7.4): 124.95; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 37.38Å2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 38.33 cm3; (13)Molar Volume: 118.5 cm3; (14)Polarizability: 15.19x10-24cm3; (15)Surface Tension: 46.7 dyne/cm; (16)Enthalpy of Vaporization: 56.64 kJ/mol; (17)Boiling Point: 324.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000247 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C2=C(/C(=O)N1)CCCC2
(2)InChI: InChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)
(3)InChIKey: AFJWMGOTLUUGHF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)
(5)Std. InChIKey: AFJWMGOTLUUGHF-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | unreported | 1500mg/kg (1500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. | |
| mouse | LC | inhalation | > 150mg/m3 (150mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. | |
| mouse | LD50 | unreported | 1525mg/kg (1525mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. | |
| rat | LC | inhalation | > 150mg/m3 (150mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. | |
| rat | LD50 | unreported | 1800mg/kg (1800mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. |