6-Iodo-3H-isobenzofuran-1-one supplier

Name
6-IODO-3 H-ISOBENZOFURAN-1-ONE
EINECS
CAS No. 53910-10-4
Article Data5
CAS DataBase
Density 2.029 g/cm³
Solubility
Melting Point 103 °C
Formula C₈H₅IO₂
Boiling Point 382.7 °C at 760 mmHg
Molecular Weight 260.031
Flash Point 185.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Iodo-2-benzofuran-1(3H)-one;
PSA 26.30000
LogP 1.96160

6-Iodo-3H-isobenzofuran-1-one Specification

The 1(3H)-Isobenzofuranone, 6-iodo-, with the CAS registry number 53910-10-4, is also known as 6-Iodo-3H-isobenzofuran-1-one. This chemical's molecular formula is C₈H₅IO₂ and molecular weight is 260.03. What's more, its systematic name is called 6-Iodo-2-benzofuran-1(3H)-one.

Physical properties about 1(3H)-Isobenzofuranone, 6-iodo- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 48.45 cm³; (9)Molar Volume: 128.1 cm³; (10)Surface Tension: 56.8 dyne/cm; (11)Density: 2.029 g/cm³; (12)Flash Point: 185.3 °C; (13)Enthalpy of Vaporization: 63.12 kJ/mol; (14)Boiling Point: 382.7 °C at 760 mmHg; (15)Vapour Pressure: 4.62E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc2C(=O)OCc2cc1
(2) InChI: InChI=1S/C8H5IO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
(3) InChIKey: GDWUNKJJSAKJSC-UHFFFAOYSA-N

Product Name

6-IODO-3 H-ISOBENZOFURAN-1-ONE

6-Iodo-3H-isobenzofuran-1-one Specification

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