Product Name

  • Name

    Benzene,1,1'-(1,2-ethanediyl)bis(2,4-dinitro-)

  • EINECS
  • CAS No. 2220-30-6
  • Density 1.572 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H10N4O8
  • Boiling Point 522.3 °C at 760 mmHg
  • Molecular Weight 362.255
  • Flash Point 251.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 2220-30-6 (Benzene,1,1'-(1,2-ethanediyl)bis(2,4-dinitro-))
  • Hazard Symbols
  • Synonyms 1-[2-(2,4-Dinitrophenyl)ethyl]-2,4-dinitrobenzene;1,1'-Ethane-1,2-diylbis(2,4-dinitrobenzene);
  • PSA
  • LogP

Benzene,1,1'-(1,2-ethanediyl)bis(2,4-dinitro-) Specification

The Benzene,1,1'-(1,2-ethanediyl)bis(2,4-dinitro-), with the CAS registry number 2220-30-6, is also known as 1-[2-(2,4-Dinitrophenyl)ethyl]-2,4-dinitrobenzene. This chemical's molecular formula is C14H10N4O8 and molecular weight is 362.25. What's more, its systematic name is 1,1'-ethane-1,2-diylbis(2,4-dinitrobenzene).

Physical properties of Benzene,1,1'-(1,2-ethanediyl)bis(2,4-dinitro-) are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 12; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 183.28 Å2; (7)Index of Refraction: 1.674; (8)Molar Refractivity: 86.47 cm3; (9)Molar Volume: 230.3 cm3; (10)Polarizability: 34.28×10-24cm3; (11)Surface Tension: 75 dyne/cm; (12)Density: 1.572 g/cm3; (13)Flash Point: 251.7 °C; (14)Enthalpy of Vaporization: 76.58 kJ/mol; (15)Boiling Point: 522.3 °C at 760 mmHg; (16)Vapour Pressure: 1.74E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(c([N+]([O-])=O)c1)CCc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C14H10N4O8/c19-15(20)11-5-3-9(13(7-11)17(23)24)1-2-10-4-6-12(16(21)22)8-14(10)18(25)26/h3-8H,1-2H2
(3)Std. InChIKey: ZGTULFAHPDRKHI-UHFFFAOYSA-N

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