Name: 1-(3-NITROPHENYL)-1H-PYRROLE-2,5-DIONE
SKU: 7300-93-8

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Basic Information

Molecular Structure:
CAS No.:	7300-93-8
Name:	1-(3-NITROPHENYL)-1H-PYRROLE-2,5-DIONE
Article Data:	13

Formula:	C₁₀H₆N₂O₄
Molecular Weight:	218.169
Synonyms:	Maleimide,N-(m-nitrophenyl)- (6CI,7CI,8CI);1-(3-Nitrophenyl)-1H-pyrrole-2,5-dione;N-(3-Nitrophenyl)maleimide;N-(m-Nitrophenyl)maleimide;NSC 39729;
Density:	1.535 g/cm³
Boiling Point:	395.3 °C at 760 mmHg
Flash Point:	192.9 °C
Hazard Symbols:	Xi
PSA:	83.20000
LogP:	1.61240

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Specification

This chemical is called 1H-Pyrrole-2,5-dione, 1-(3-nitrophenyl)-, and its systematic name is 1-(3-nitrophenyl)-1H-pyrrole-2,5-dione. With the molecular formula of C₁₀H₆N₂O₄, its molecular weight is 218.17. The CAS registry number of this chemical is 7300-93-8.

Other characteristics of the 1H-Pyrrole-2,5-dione, 1-(3-nitrophenyl)- can be summarised as followings: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 83.2 Å²; (7)Index of Refraction: 1.666; (8)Molar Refractivity: 52.86 cm³; (9)Molar Volume: 142 cm³; (10)Polarizability: 20.95×10^-24cm³; (11)Surface Tension: 73.2 dyne/cm; (12)Density: 1.535 g/cm³; (13)Flash Point: 192.9 °C; (14)Enthalpy of Vaporization: 64.54 kJ/mol; (15)Boiling Point: 395.3 °C at 760 mmHg; (16)Vapour Pressure: 1.86E-06 mmHg at 25°C.

Uses of this chemical: The 1H-Pyrrole-2,5-dione, 1-(3-nitrophenyl)- could react with 3,5-dimethyl-pyridine 1-oξde, and obtain the 6,7a-dimethyl-2-(3-nitro-phenyl)-3a,3b,7a,8a-tetrahydro-8-oxa-2,4-diaza-cyclopenta[a]indene-1,3-dione. This reaction needs the solvent of toluene. The yield is 44.9 %. In addition, this reaction should be taken for 10 hours.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cccc(c1)N2C(=O)\C=C/C2=O
2.InChI: InChI=1/C10H6N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6H
3.InChIKey: CJENYVWFVWQVPS-UHFFFAOYAG