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3982-20-5

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Basic Information
CAS No.: 3982-20-5
Name: 2-(2,5-dioxopyrrolidin-3-yl)-1H-isoindole-1,3(2H)-dione
Article Data: 10
Molecular Structure:
Molecular Structure of 3982-20-5 (2-(2,5-dioxopyrrolidin-3-yl)-1H-isoindole-1,3(2H)-dione)
Formula: C12H8N2O4
Molecular Weight: 244.22
Density: 1.585g/cm3
Boiling Point: 500.9°Cat760mmHg
Flash Point: 256.7°C
Safety: Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
PSA: 87.04000
LogP: -0.08850
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Chemistry

Empirical Formula of N-Phthalyl-d,l-aspartimide (CAS NO.3982-20-5): C12H8N2O4
Molecular Weight: 244.2029 
Index of Refraction: 1.673
Density: 1.585 g/cm3
Flash Point: 256.7 °C
Enthalpy of Vaporization: 76.96 kJ/mol
Boiling Point: 500.9 °C at 760 mmHg
Vapour Pressure: 3.65E-10 mmHg at 25 °C
Structure of N-Phthalyl-d,l-aspartimide (CAS NO.3982-20-5):
                                
IUPAC Name: 2-(2,5-Dioxopyrrolidin-3-yl)isoindole-1,3-dione
Canonical SMILES: C1C(C(=O)NC1=O)N2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C12H8N2O4/c15-9-5-8(10(16)13-9)14-11(17)6-3-1-2-4-7(6)12(14)18/h1-4,8H,5H2,(H,13,15,16)
InChIKey: VSNMIAXOGBPRIQ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:5000 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 6 (1963),464.
2.    

orl-mus LD50:3500 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 6 (1963),464.

Safety Profile

Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition N-Phthalyl-d,l-aspartimide (CAS NO.3982-20-5) emits toxic fumes of NOx.

Specification

 N-Phthalyl-d,l-aspartimide , its cas register number is 3982-20-5. It also can be called 3-(1,3-Dihydro-1-oxo-2h-isoindol-2-yl)-2,5-pyrrolidinedione ; BRN 0484653 ; and Aspartimide, N-phthalyl-, (d,l)- .