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| CAS No.: | 491862-84-1 |
|---|---|
| Name: | 3-FLUORO-5-IODOTOLUENE |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6FI |
| Molecular Weight: | 236.028 |
| Synonyms: | 3-Fluoro-5-methyliodobenzene;5-Fluoro-3-iodotoluene;3-Fluoro-5-iodotoluene; |
| Density: | 1.788 g/cm3 |
| Boiling Point: | 207.4 °C at 760 mmHg |
| Flash Point: | 82.5 °C |
| Hazard Symbols: |
 Xi, T
|
| Risk Codes: | 25 |
| Safety: | 45 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.73870 |
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Specification
The Benzene,1-fluoro-3-iodo-5-methyl-, with the CAS registry number 491862-84-1, is also known as 5-Fluoro-3-iodotoluene. It belongs to the product category of Halogen toluene. This chemical's molecular formula is C7H6FI and formula weight is 236.03. What's more, its IUPAC name is 1-fluoro-3-iodo-5-methylbenzene.
Physical properties of Benzene,1-fluoro-3-iodo-5-methyl- are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 430.05; (4)ACD/KOC (pH 5.5): 2671.03; (5)Index of Refraction: 1.58; (6)Molar Refractivity: 43.97 cm3; (7)Molar Volume: 131.9 cm3; (8)Surface Tension: 37.9 dyne/cm; (9)Density: 1.788 g/cm3; (10)Flash Point: 82.5 °C; (11)Enthalpy of Vaporization: 42.56 kJ/mol; (12)Boiling Point: 207.4 °C at 760 mmHg; (13)Vapour Pressure: 0.324 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(I)cc(F)c1
(2)InChI: InChI=1S/C7H6FI/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
(3)InChIKey: OIYMMFUTIUURQT-UHFFFAOYSA-N