Product Name

  • Name

    2,3-PENTANEDIONE-1,1,1,4,4-D5

  • EINECS
  • CAS No. 352431-46-0
  • Density 0.998 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H3 D5 O2
  • Boiling Point 107.999 °C at 760 mmHg
  • Molecular Weight 105.15
  • Flash Point 19.676 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 352431-46-0 (2,3-PENTANEDIONE-1,1,1,4,4-D5)
  • Hazard Symbols
  • Synonyms 2,3-PENTANEDIONE-1,1,1,4,4-D5;2,3-Pentanedione--d5
  • PSA 34.14000
  • LogP 0.55450

2,3-Pentanedione-1,1,1,4,4-d5(9CI) Specification

The 2,3-Pentanedione-1,1,1,4,4-d5(9CI) is an organic compound with the formula C5H3D5O2. With the CAS registry number 352431-46-0, its systematic name is (1,1,1,4,4-2H5)Pentane-2,3-dione.

Physical properties of 2,3-Pentanedione-1,1,1,4,4-d5(9CI): (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.418; (4)ACD/KOC (pH 7.4): 8.418; (5)#H bond acceptors: 2; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.395; (8)Molar Refractivity: 25.272 cm3; (9)Molar Volume: 105.309 cm3; (10)Surface Tension: 27.524 dyne/cm; (11)Density: 0.998 g/cm3; (12)Flash Point: 19.676 °C; (13)Enthalpy of Vaporization: 34.681 kJ/mol; (14)Boiling Point: 107.999 °C at 760 mmHg; (15)Vapour Pressure: 26.416 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C(=O)C(=O)C([2H])([2H])C
(2)InChI: InChI=1/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3/i2D3,3D2
(3)InChIKey: TZMFJUDUGYTVRY-PDWRLMEDEY

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