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2,4,6-Trifluoroiodobenzene

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Name

2,4,6-Trifluoroiodobenzene

EINECS N/A
CAS No. 41860-63-3 Density 2.078 g/cm3
PSA 0.00000 LogP 2.70850
Solubility N/A Melting Point 28-29℃
Formula C6H2F3I Boiling Point 170.9 °C at 760 mmHg
Molecular Weight 257.982 Flash Point 62.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 41860-63-3 (2,4,6-Trifluoroiodobenzene) Hazard Symbols N/A
Synonyms

1,3,5-Trifluoro-2-iodobenzene;2,4,6-Trifluoroiodobenzene;

Article Data 5

2,4,6-Trifluoroiodobenzene Specification

The Benzene, 1, 3, 5-trifluoro-2-iodo-, with the CAS registry number of 41860-63-3, is also known as 2, 4, 6-Trifluoroiodobenzene. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C6H2F3I and molecular weight is 257.98. What's more, its systematic name is called 1, 3, 5-Trifluoro-2-iodobenzene.

Physical properties about Benzene, 1, 3, 5-trifluoro-2-iodo- are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 180.86; (6)ACD/BCF (pH 7.4): 180.86; (7)ACD/KOC (pH 5.5): 1436.88; (8)ACD/KOC (pH 7.4): 1436.88; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 39.14 cm3; (15)Molar Volume: 124.1 cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 2.078 g/cm3; (18)Flash Point: 62.7 °C; (19)Enthalpy of Vaporization: 39.05 kJ/mol; (20)Boiling Point: 170.9 °C at 760 mmHg; (21)Vapour Pressure: 1.91 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(F)c(I)c(F)c1
(2) InChI: InChI=1/C6H2F3I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
(3) InChIKey: CTUZRFPGJAMCBX-UHFFFAOYAV

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