Product Name

  • Name

    1-(2-METHOXY-4-NITRO-PHENYL)-PYRROLE-2,5-DIONE

  • EINECS
  • CAS No. 184171-53-7
  • Density 1.494 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H8N2O5
  • Boiling Point 455.6 °C at 760 mmHg
  • Molecular Weight 248.1916
  • Flash Point 229.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 184171-53-7 (1-(2-METHOXY-4-NITRO-PHENYL)-PYRROLE-2,5-DIONE)
  • Hazard Symbols
  • Synonyms 1-(2-Methoxy-4-nitro-phenyl)-pyrrole-2,5-dione;
  • PSA 92.43000
  • LogP 1.62100

1H-Pyrrole-2,5-dione,1-(2-methoxy-4-nitrophenyl)- Specification

The 1H-Pyrrole-2,5-dione,1-(2-methoxy-4-nitrophenyl)-, with the CAS registry number 184171-53-7, is also known as 1-(2-Methoxy-4-nitro-phenyl)-pyrrole-2,5-dione. This chemical's molecular formula is C11H8N2O5 and molecular weight is 248.1916. What's more, its systematic name is called 1-(2-Methoxy-4-nitrophenyl)-1H-pyrrole-2,5-dione.

Physical properties about 1H-Pyrrole-2,5-dione,1-(2-methoxy-4-nitrophenyl)- are: (1)ACD/LogP: 1.04; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.63; (6)ACD/BCF (pH 7.4): 3.63; (7)ACD/KOC (pH 5.5): 87.59; (8)ACD/KOC (pH 7.4): 87.59; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 92.43 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 59.54 cm3; (15)Molar Volume: 166 cm3; (16)Polarizability: 23.6×10-24 cm3; (17)Surface Tension: 66.5 dyne/cm; (18)Density: 1.494 g/cm3; (19)Flash Point: 229.3 °C; (20)Enthalpy of Vaporization: 71.53 kJ/mol; (21)Boiling Point: 455.6 °C at 760 mmHg; (22)Vapour Pressure: 1.74E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(OC)c(cc1)N2C(=O)\C=C/C2=O
(2) InChI: InChI=1/C11H8N2O5/c1-18-9-6-7(13(16)17)2-3-8(9)12-10(14)4-5-11(12)15/h2-6H,1H3
(3) InChIKey: FNPMAUNQISKLRJ-UHFFFAOYAI

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