Product Name

  • Name

    5-IODOPHTHALIDE

  • EINECS
  • CAS No. 41284-92-8
  • Article Data3
  • CAS DataBase
  • Density 2.029 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H5IO2
  • Boiling Point 397.4 °C at 760 mmHg
  • Molecular Weight 260.031
  • Flash Point 194.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 41284-92-8 (5-IODOPHTHALIDE)
  • Hazard Symbols
  • Synonyms 5-Iodo-2-benzofuran-1(3H)-one;5-Iodo-3-hydroisobenzofuran-1-one;Phthalide, 5-iodo- (3CI);
  • PSA 26.30000
  • LogP 1.96160

5-Iodophthalide Specification

The 1(3H)-Isobenzofuranone, 5-iodo-, with the CAS registry number 41284-92-8, is also known as 5-Iodo-3-hydroisobenzofuran-1-one. This chemical's molecular formula is C8H5IO2 and molecular weight is 260.03. What's more, its systematic name is 5-iodo-2-benzofuran-1(3H)-one. 

Physical properties of 1(3H)-Isobenzofuranone, 5-iodo- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.21; (6)ACD/BCF (pH 7.4): 20.21; (7)ACD/KOC (pH 5.5): 299.3; (8)ACD/KOC (pH 7.4): 299.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 48.45 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 19.21×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 2.029 g/cm3; (19)Flash Point: 194.1 °C; (20)Enthalpy of Vaporization: 64.78 kJ/mol; (21)Boiling Point: 397.4 °C at 760 mmHg; (22)Vapour Pressure: 1.59E-06 mmHg at 25°C.

Uses of 1(3H)-Isobenzofuranone, 5-iodo-: it can be used to produce 5-iodo-2-(p-dimethylaminophenyl)indan-1,3-dione by heating. It will need reagent MeONa and solvent ethyl acetate. The yield is about 96%.

1(3H)-Isobenzofuranone, 5-iodo- can be used to produce 5-iodo-2-(p-dimethylaminophenyl)indan-1,3-dione by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc2C(=O)OCc2c1
(2)InChI: InChI=1S/C8H5IO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
(3)InChIKey: CQAKANQMFXBJJQ-UHFFFAOYSA-N

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