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19077-60-2

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Basic Information
CAS No.: 19077-60-2
Name: 1-(4-ETHOXYPHENYL)-1H-PYRROLE-2,5-DIONE
Article Data: 10
Molecular Structure:
Molecular Structure of 19077-60-2 (1-(4-ETHOXYPHENYL)-1H-PYRROLE-2,5-DIONE)
Formula: C12H11NO3
Molecular Weight: 217.224
Synonyms: Maleimide,N-(p-ethoxyphenyl)- (6CI,7CI,8CI);N-(4-Ethoxyphenyl)maleimide;N-(p-Ethoxyphenyl)maleimide;
Density: 1.272 g/cm3
Boiling Point: 371.5 °C at 760 mmHg
Flash Point: 178.5 °C
Hazard Symbols: IrritantXi
PSA: 46.61000
LogP: 1.57970
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Specification

The 1H-Pyrrole-2,5-dione,1-(4-ethoxyphenyl)-, with the CAS registry number 19077-60-2, is also known as N-(p-Ethoxyphenyl)maleimide. This chemical's molecular formula is C12H11NO3 and molecular weight is 217.22. What's more, its IUPAC name is 1-(4-Ethoxyphenyl)pyrrole-2,5-dione. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.

Physical properties about 1H-Pyrrole-2,5-dione,1-(4-ethoxyphenyl)-: (1) ACD/LogP: 1.54; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.54; (4) ACD/LogD (pH 7.4): 1.54; (5) ACD/BCF (pH 5.5): 8.67; (6) ACD/BCF (pH 7.4): 8.67; (7) ACD/KOC (pH 5.5): 163.3; (8) ACD/KOC (pH 7.4): 163.3; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 46.61 Å2; (13) Index of Refraction: 1.59; (14) Molar Refractivity: 57.63 cm3; (15) Molar Volume: 170.7 cm3; (16) Surface Tension: 51.4 dyne/cm; (17) Density: 1.272 g/cm3; (18) Flash Point: 178.5 °C; (19) Enthalpy of Vaporization: 61.85 kJ/mol; (20) Boiling Point: 371.5 °C at 760 mmHg; (21) Vapour Pressure: 1.03E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\C=C/C(=O)N2c1ccc(OCC)cc1
(2) InChI: InChI=1/C12H11NO3/c1-2-16-10-5-3-9(4-6-10)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3
(3) InChIKey: HLQZPKWGAFLVHJ-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 570mg/kg (570mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 109, 1975.
rat LD50 oral 630mg/kg (630mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 109, 1975.