N-(4-BROMOPHENYL)MALEIMIDE

The 1H-Pyrrole-2,5-dione,1-(4-bromophenyl)-, with CAS registry number 13380-67-1, has the systematic name of 1-(4-bromophenyl)-1H-pyrrole-2,5-dione. Besides this, it is also called N-(4-Bromophenyl)maleimide. This chemical is a kind of pale yellow crystalline powder. And the chemical formula of this chemical is C₁₀H₆BrNO₂.

Physical properties of 1H-Pyrrole-2,5-dione,1-(4-bromophenyl)-: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.31; (6)ACD/BCF (pH 7.4): 15.31; (7)ACD/KOC (pH 5.5): 245.34; (8)ACD/KOC (pH 7.4): 245.34; (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: 1.659; (14)Molar Refractivity: 54.01 cm³; (15)Molar Volume: 146.4 cm³; (16)Polarizability: 21.41×10^-24cm³; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.721 g/cm³; (19)Flash Point: 176.5 °C; (20)Enthalpy of Vaporization: 61.48 kJ/mol; (21)Boiling Point: 368.2 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Pyrrole-2,5-dione,1-(4-bromophenyl)- irritates to eyes, respiratory system and skin. And it is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)N2C(=O)\C=C/C2=O
(2)InChI: InChI=1/C10H6BrNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
(3)InChIKey: FECSFBYOMHWJQG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H6BrNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
(5)Std. InChIKey: FECSFBYOMHWJQG-UHFFFAOYSA-N