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| CAS No.: | 170112-66-0 |
|---|---|
| Name: | 3,4,5-Trifluoroiodobenzene |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H2F3I |
| Molecular Weight: | 257.982 |
| Synonyms: | Benzene, 1,2,3-trifluoro-5-iodo-; |
| Density: | 2.078 g/cm3 |
| Boiling Point: | 176.4 °C at 760 mmHg |
| Flash Point: | 65.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 2.70850 |
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Specification
The 3,4,5-Trifluoroiodobenzene, with the CAS registry number of 170112-66-0, is also known as Benzene, 1,2,3-trifluoro-5-iodo-. This chemical's molecular formula is C6H2F3I and molecular weight is 257.98. What's more, its systematic name is 1,2,3-trifluoro-5-iodobenzene.
Physical properties about the 3,4,5-Trifluoroiodobenzene are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 160.26; (6)ACD/BCF (pH 7.4): 160.26; (7)ACD/KOC (pH 5.5): 1317.7; (8)ACD/KOC (pH 7.4): 1317.7; (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: 65.1 °C; (19)Enthalpy of Vaporization: 39.58 kJ/mol; (20)Boiling Point: 176.4 °C at 760 mmHg; (21)Vapour Pressure: 1.47 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES:Fc1c(F)cc(I)cc1F
(2) InChI:InChI=1/C6H2F3I/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
(3) InChIKey:RLJXJUHMVYLIBW-UHFFFAOYAQ