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1,3-Propanediol,2-iodo-

  • Name 1,3-Propanediol,2-iodo-
  • EINECSN/A
  • CAS No. 5349-29-1
  • Density2.189g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC3H7IO2
  • Boiling Point308.7 °C at 760 mmHg
  • Molecular Weight201.9909
  • Flash Point140.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 5349-29-1 (2-iodopropane-1,3-diol)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data6

1,3-Propanediol,2-iodo- Specification

The 1,3-Propanediol,2-iodo-, with the CAS registry number 5349-29-1, is also known as 2-Iodo-1,3-propanediol. This chemical's molecular formula is C3H7IO2 and molecular weight is 201.9909. What's more, both its IUPAC name and systematic name are the same which is called 2-Iodopropane-1,3-diol.

Physical properties about 1,3-Propanediol,2-iodo- are: (1)ACD/LogP: 0.16; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46Å2; (7)Index of Refraction: 1.608; (8)Molar Refractivity: 31.94 cm3; (9)Molar Volume: 92.2 cm3; (10)Surface Tension: 59.5 dyne/cm; (11)Density: 2.189 g/cm3; (12)Flash Point: 140.5 °C; (13)Enthalpy of Vaporization: 63.71 kJ/mol; (14)Boiling Point: 308.7 °C at 760 mmHg; (15)Vapour Pressure: 6.11E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: IC(CO)CO
(2) InChI: InChI=1/C3H7IO2/c4-3(1-5)2-6/h3,5-6H,1-2H2
(3) InChIKey: UQTRRWUQXIOVPL-UHFFFAOYAI

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