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Basic Information
CAS No.: 15870-69-6
Name: 2-[4-(bromomethyl)phenyl]-1H-isoindole-1,3(2H)-dione
Article Data: 4
Molecular Structure:
Molecular Structure of 15870-69-6 (2-[4-(bromomethyl)phenyl]-1H-isoindole-1,3(2H)-dione)
Formula: C15H10BrNO2
Molecular Weight: 316.154
Synonyms: N-(4-Bromomethyl-phenyl)-phthalimide;
Density: 1.611g/cm3
Boiling Point: 472.268 °C at 760 mmHg
Flash Point: 239.419 °C
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Specification

The 2-[4-(Bromomethyl)phenyl]isoindole-1,3-dione, with the CAS registry number 15870-69-6, is also known as N-(4-Bromomethyl-phenyl)-phthalimide. This chemical's molecular formula is C15H10BrNO2 and molecular weight is 314.99. What's more, its systematic name is called 2-[4-(Bromomethyl)phenyl]-1H-isoindole-1,3(2H)-dione.

Physical properties about 2-[4-(Bromomethyl)phenyl]isoindole-1,3-dione are: (1)ACD/LogP: 3.642; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 344.89; (6)ACD/BCF (pH 7.4): 344.89; (7)ACD/KOC (pH 5.5): 2280.73; (8)ACD/KOC (pH 7.4): 2280.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 74.735 cm3; (15)Molar Volume: 196.258 cm3; (16)Polarizability: 29.627×10-24cm3; (17)Surface Tension: 63.54 dyne/cm; (18)Density: 1.611 g/cm3; (19)Flash Point: 239.419 °C; (20)Enthalpy of Vaporization: 73.517 kJ/mol; (21)Boiling Point: 472.268 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Uses of 2-[4-(Bromomethyl)phenyl]isoindole-1,3-dione: it is used to produce other chemicals. For example, it can react with 2-[1,3]dioxolan-2-yl-pyridine to get 1-[4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzyl]-2-[1,3]dioxolan-2-yl-pyridinium; bromide. The reaction occurs with solvent dimethylsulfoxide at temperature of 20 °C heating for 7 days. The yield is 53 %.

2-[4-(Bromomethyl)phenyl]isoindole-1,3-dione can react with 2-[1,3]dioxolan-2-yl-pyridine to get 1-[4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzyl]-2-[1,3]dioxolan-2-yl-pyridinium; bromide.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1ccc(cc1)N3C(=O)c2ccccc2C3=O
(2) InChI: InChI=1S/C15H10BrNO2/c16-9-10-5-7-11(8-6-10)17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2
(3) InChIKey: WTLKCCRXVZCOSY-UHFFFAOYSA-N