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6-Iodo-2-tetralone

  • Name 6-Iodo-2-tetralone
  • EINECSN/A
  • CAS No. 239783-48-3
  • Density1.757 g/cm3
  • PSA17.07000
  • LogP2.34900
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H9IO
  • Boiling Point340.498 °C at 760 mmHg
  • Molecular Weight272.085
  • Flash Point159.728 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 239783-48-3 (6-Iodo-2-Tetralone)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

6-Iodo-2-tetralone Specification

The 6-Iodo-2-tetralone is an organic compound with the formula C10H9IO. The systematic name of this chemical is 6-iodotetralin-2-one. With the CAS registry number 239783-48-3, it is also named as 3,4-Dihydro-6-iodo-2(1H)-naphthalenone.

Physical properties about 6-Iodo-2-tetralone are: (1)ACD/LogP: 4.09; (2)ACD/LogD (pH 5.5): 4.088; (3)ACD/LogD (pH 7.4): 4.088; (4)ACD/BCF (pH 5.5): 753.725; (5)ACD/BCF (pH 7.4): 753.725; (6)ACD/KOC (pH 5.5): 3991.262; (7)ACD/KOC (pH 7.4): 3991.262; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 56.076 cm3; (12)Molar Volume: 154.833 cm3; (13)Polarizability: 22.23×10-24cm3; (14)Surface Tension: 49.993 dyne/cm; (15)Density: 1.757 g/cm3; (16)Flash Point: 159.728 °C; (17)Enthalpy of Vaporization: 58.406 kJ/mol; (18)Boiling Point: 340.498 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1I)CCC(=O)C2
(2)InChI: InChI=1/C10H9IO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2
(3)InChIKey: SEWYGJLCOWKXRM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H9IO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2 CopyCopied
(5)Std. InChIKey: SEWYGJLCOWKXRM-UHFFFAOYSA-N

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