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Basic Information
CAS No.: 615-68-9
Name: 1,2,4-TRIIODOBENZENE
Article Data: 9
Molecular Structure:
Molecular Structure of 615-68-9 (1,2,4-TRIIODOBENZENE)
Formula: C6H3I3
Molecular Weight: 455.803
Synonyms: 1,2,4-Triiodobenzene;
Density: 2.928 g/cm3
Melting Point: 91.5°C
Boiling Point: 358.1 °C at 760 mmHg
Flash Point: 189 °C
PSA: 0.00000
LogP: 3.50040
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Specification

The Benzene, 1,2,4-triiodo-, with the CAS registry number 615-68-9, is also known as CID3013920. This chemical's molecular formula is C6H3I3 and molecular weight is 455.80143. Its IUPAC name is called 1,2,4-triiodobenzene.

Physical properties of Benzene, 1,2,4-triiodo-: (1)ACD/LogP: 4.60; (2)ACD/LogD (pH 5.5): 4.6; (3)ACD/LogD (pH 7.4): 4.6; (4)ACD/BCF (pH 5.5): 1838.69; (5)ACD/BCF (pH 7.4): 1838.69; (6)ACD/KOC (pH 5.5): 7556.71; (7)ACD/KOC (pH 7.4): 7556.71; (8)Index of Refraction: 1.774; (9)Molar Refractivity: 64.97 cm3; (10)Molar Volume: 155.6 cm3; (11)Surface Tension: 60.4 dyne/cm; (12)Density: 2.928 g/cm3; (13)Flash Point: 189 °C; (14)Enthalpy of Vaporization: 57.98 kJ/mol; (15)Boiling Point: 358.1 °C at 760 mmHg; (16)Vapour Pressure: 5.37E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1I)I)I
(2)InChI: InChI=1S/C6H3I3/c7-4-1-2-5(8)6(9)3-4/h1-3H
(3)InChIKey: KSXFNGRHPAHIQJ-UHFFFAOYSA-N