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CAS No.: | 17392-67-5 |
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Name: | 1-(2-METHOXY-5-NITROPHENYL)-1H-PYRROLE-2,5-DIONE |
Molecular Structure: | |
Formula: | C11H8N2O5 |
Molecular Weight: | 248.195 |
Synonyms: | Maleimide,N-(2-methoxy-5-nitrophenyl)- (7CI,8CI);1-(2-methoxy-5-nitrophenyl)-1H-pyrrole-2,5-dione;1-(2-Methoxy-5-nitro-phenyl)-pyrrole-2,5-dione; |
Density: | 1.494 g/cm3 |
Melting Point: | 158-159 °C |
Boiling Point: | 450.8 °C at 760 mmHg |
Flash Point: | 226.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 92.43000 |
LogP: | 1.62100 |
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The 1H-Pyrrole-2,5-dione,1-(2-methoxy-5-nitrophenyl)-, with the CAS registry number 17392-67-5, has the systematic name of 1-(2-methoxy-5-nitrophenyl)-1H-pyrrole-2,5-dione. It is a kind of irritant chemical, and the molecular formula of the chemical is C11H8N2O5.
The characteristics of 1H-Pyrrole-2,5-dione,1-(2-methoxy-5-nitrophenyl)- are as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 92.43 Å2; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 59.54 cm3; (9)Molar Volume: 166 cm3; (10)Polarizability: 23.6×10-24cm3; (11)Surface Tension: 66.5 dyne/cm; (12)Density: 1.494 g/cm3; (13)Flash Point: 226.5 °C; (14)Enthalpy of Vaporization: 70.98 kJ/mol; (15)Boiling Point: 450.8 °C at 760 mmHg; (16)Vapour Pressure: 2.56E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OC)c(c1)N2C(=O)\C=C/C2=O
(2)InChI: InChI=1/C11H8N2O5/c1-18-9-3-2-7(13(16)17)6-8(9)12-10(14)4-5-11(12)15/h2-6H,1H3
(3)InChIKey: RQSBMFYAHQPZGS-UHFFFAOYAP