1-(2-CHLORO-PHENYL)-PYRROLE-2,5-DIONE

The CAS registry number of 1H-Pyrrole-2,5-dione,1-(2-chlorophenyl)- is 1203-24-3. The IUPAC name is 1-(2-chlorophenyl)pyrrole-2,5-dione. Its EINECS registry number is 214-869-0. In addition, the molecular formula is C₁₀H₆ClNO₂ and the molecular weight is 207.61. It is a kind of irritating chemical and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.24; (5)ACD/BCF (pH 7.4): 11.24; (6)ACD/KOC (pH 5.5): 196.64; (7)ACD/KOC (pH 7.4): 196.64; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.38 Å²; (11)Index of Refraction: 1.639; (12)Molar Refractivity: 51.21 cm³; (13)Molar Volume: 142.2 cm³; (14)Polarizability: 20.3 ×10^-24cm³; (15)Surface Tension: 60 dyne/cm; (16)Density: 1.459 g/cm³; (17)Flash Point: 153.1 °C; (18)Enthalpy of Vaporization: 57.2 kJ/mol; (19)Boiling Point: 329.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000177 mmHg at 25°C.

Preparation of 1H-Pyrrole-2,5-dione,1-(2-chlorophenyl)-: it can be prepared by N-(2-chloro-phenyl)-maleamic acid. This reaction will need reagent H₂SO₄ and solvents toluene and dimethylsulfoxide. The yield is about 100% by heating.

Uses of 1H-Pyrrole-2,5-dione,1-(2-chlorophenyl)-: it can react with 2-cyano-thioacetamide to get 4-(2-chloro-phenyl)-5-oxo-2-thioxo-1,2,4,5,6,6a-hexahydro-pyrrolo[3,2-b]pyrrole-3-carbonitrile. This reaction will need reagent triethylamine and solvent ethanol. The reaction time is 2 hours by heating. The yield is about 65%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1N2C(=O)\C=C/C2=O
(2)InChI: InChI=1/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
(3)InChIKey: KPQOXMCRYWDRSB-UHFFFAOYAZ