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1,3-Isobenzofurandione,4-iodo-

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Name

1,3-Isobenzofurandione,4-iodo-

EINECS N/A
CAS No. 28418-88-4 Density 2.198 g/cm3
PSA 43.37000 LogP 1.60180
Solubility N/A Melting Point 159-161 °C
Formula C8H3IO3 Boiling Point 377.9 °C at 760 mmHg
Molecular Weight 274.015 Flash Point 182.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28418-88-4 (3-IODOPHTHALIC ANHYDRIDE) Hazard Symbols N/A
Synonyms

3-Iodophthalic anhydride;NSC135150;

Article Data 15

1,3-Isobenzofurandione,4-iodo- Specification

The 1,3-Isobenzofurandione,4-iodo-, with the CAS registry number 28418-88-4, is also known as 3-Iodophthalic anhydride. This chemical's molecular formula is C8H3IO3 and molecular weight is 274.0121. What's more, both its IUPAC name and systematic name are the same which is 4-Iodo-2-benzofuran-1,3-dione.

Physical properties about 1,3-Isobenzofurandione,4-iodo- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.707; (8)Molar Refractivity: 48.58 cm3; (9)Molar Volume: 124.6 cm3; (10)Polarizability: 19.26×10-24 cm3; (11)Surface Tension: 67.3 dyne/cm; (12)Density: 2.198 g/cm3; (13)Flash Point: 182.3 °C; (14)Enthalpy of Vaporization: 62.57 kJ/mol; (15)Boiling Point: 377.9 °C at 760 mmHg; (16)Vapour Pressure: 6.55E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cccc2c1C(=O)OC2=O
(2) InChI: InChI=1/C8H3IO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
(3) InChIKey: SKHCDRLTAOLKHQ-UHFFFAOYAC

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