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52845-68-8

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Basic Information
CAS No.: 52845-68-8
Name: N-(4-METHYL-3-CHLOROPHENYL)MALEIMIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 52845-68-8 (N-(4-METHYL-3-CHLOROPHENYL)MALEIMIDE)
Formula: C11H8ClNO2
Molecular Weight: 221.643
Synonyms: 1-(3-Chloro-4-methylphenyl)maleimide;1-(3-Chloro-4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;
Density: 1.398 g/cm3
Melting Point: 144-148 °C
Boiling Point: 377.3 °C at 760 mmHg
Flash Point: 182 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 37.38000
LogP: 2.14280
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Specification

The 1H-Pyrrole-2,5-dione,1-(3-chloro-4-methylphenyl)-, with the CAS registry number 52845-68-8, is also known as 1-(3-Chloro-4-methylphenyl)maleimide and 1-(3-Chloro-4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione. This chemical's molecular formula is C11H8ClNO2 and molecular weight is 221.6397. What's more, its IUPAC name is called 1-(3-Chloro-4-methylphenyl)pyrrole-2,5-dione.

Physical properties about 1H-Pyrrole-2,5-dione,1-(3-chloro-4-methylphenyl)- are: (1)ACD/LogP: 2.15; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 56.04 cm3; (9)Molar Volume: 158.4 cm3; (10)Surface Tension: 56.2 dyne/cm; (11)Density: 1.398 g/cm3; (12)Flash Point: 182 °C; (13)Enthalpy of Vaporization: 62.51 kJ/mol; (14)Boiling Point: 377.3 °C at 760 mmHg; (15)Vapour Pressure: 6.81E-06 mmHg at 25 °C; (16)Melting Point: 144-148 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(ccc(c1)N2C(=O)\C=C/C2=O)C
(2) InChI: InChI=1/C11H8ClNO2/c1-7-2-3-8(6-9(7)12)13-10(14)4-5-11(13)15/h2-6H,1H3
(3) InChIKey: XZEWOPDHALLILR-UHFFFAOYAG