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Benzene,1,1'-sulfonylbis[2,4,6-trinitro-

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  • Name Benzene,1,1'-sulfonylbis[2,4,6-trinitro-
  • EINECS234-178-8
  • CAS No. 10580-80-0
  • Density1.962 g/cm3
  • PSA317.44000
  • LogP6.18860
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12H4N6O14S
  • Boiling Point706.9 °C at 760 mmHg
  • Molecular Weight488.262
  • Flash Point381.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 10580-80-0 (bis(2,4,6-trinitrophenyl) sulphone)
  • Hazard SymbolsN/A
  • SynonymsN/A

Benzene,1,1'-sulfonylbis[2,4,6-trinitro- Specification

The Benzene,1,1'-sulfonylbis[2,4,6-trinitro-, with the CAS registry number 10580-80-0, is also known as Bis(2,4,6-trinitrophenyl) sulphone. Its EINECS number is 234-178-8. This chemical's molecular formula is C12H4N6O14S and molecular weight is 488.26. What's more, its systematic name is 1,1'-sulfonylbis(2,4,6-trinitrobenzene).

Physical properties of Benzene,1,1'-sulfonylbis[2,4,6-trinitro- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)#H bond acceptors: 20; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 317.44 Å2; (9)Index of Refraction: 1.702; (10)Molar Refractivity: 96.47 cm3; (11)Molar Volume: 248.8 cm3; (12)Polarizability: 38.24×10-24cm3; (13)Surface Tension: 106.5 dyne/cm; (14)Density: 1.962 g/cm3; (15)Flash Point: 381.3 °C; (16)Enthalpy of Vaporization: 99.71 kJ/mol; (17)Boiling Point: 706.9 °C at 760 mmHg; (18)Vapour Pressure: 5.17E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1[N+](=O)[O-])S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C12H4N6O14S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)33(31,32)12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H
(3)Std. InChIKey: LBSKWFDEDNVDAU-UHFFFAOYSA-N

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