N-(4-CHLOROPHENYL)PHTHALIMIDE

The 1H-Isoindole-1,3(2H)-dione,2-(4-chlorophenyl)-, with the CAS registry number 7386-21-2, has the systematic name of 2-(4-chlorophenyl)-1H-isoindole-1,3(2H)-dione. It is a kind of almost white fluffy powder, and belongs to the following product categories: N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides. And the molecular formula of the chemical is C₁₄H₈ClNO₂.

The characteristics of 1H-Isoindole-1,3(2H)-dione,2-(4-chlorophenyl)- are as followings: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111.24; (6)ACD/BCF (pH 7.4): 111.24; (7)ACD/KOC (pH 5.5): 1014.65; (8)ACD/KOC (pH 7.4): 1014.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 66.98 cm³; (15)Molar Volume: 178.7 cm³; (16)Polarizability: 26.55×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.441 g/cm³; (19)Flash Point: 216.3 °C; (20)Enthalpy of Vaporization: 69.01 kJ/mol; (21)Boiling Point: 434 °C at 760 mmHg; (22)Vapour Pressure: 9.8E-08 mmHg at 25°C. 

Preparation of 1H-Isoindole-1,3(2H)-dione,2-(4-chlorophenyl)-: This chemical can be prepared by phthalic acid anhydride and 4-chloro-aniline. The reaction time is 3 minutes with microwave irradiation, and the yield is about 92%. 

Uses of 1H-Isoindole-1,3(2H)-dione,2-(4-chlorophenyl)-: It can react with 4-diethylamino-5,6,7,8-tetrahydro-benzo[d][1,3]oxazin-2-one to produce 2-(4-chloro-phenyl)-9-diethylamino-5,6,7,8-tetrahydro-pyrrolo[3,4-b]quinoline-1,3-dione. This reaction will need menstruum 1,2-dichloro-benzene. The reaction time is 10 hours with heating, and the yield is about 38%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(cc1)N3C(=O)c2ccccc2C3=O
(2)InChI: InChI=1/C14H8ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
(3)InChIKey: QKHKQJWODBAIMN-UHFFFAOYAG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 23, 1953.