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CAS No.: | 452-82-4 |
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Name: | 4-FLUORO-3-IODOTOLUENE |
Molecular Structure: | |
Formula: | C7H6FI |
Molecular Weight: | 236.028 |
Synonyms: | Toluene,4-fluoro-3-iodo- (8CI);3-Iodo-4-fluorotoluene;4-Fluoro-3-iodotoluene;NSC29032;1-Fluoro-2-iodo-4-methylbenzene;1-Fluor-2-iod-4-methylbenzol; |
Density: | 1.788 g/cm3 |
Boiling Point: | 212.2 °C at 760 mmHg |
Flash Point: | 85.3 °C |
Appearance: | colorless to light yellow liquid |
Hazard Symbols: | T,Xi |
Risk Codes: | 25-52/53 |
Safety: | 26-45 |
Transport Information: | UN 1992 |
PSA: | 0.00000 |
LogP: | 2.73870 |
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The Benzene,1-fluoro-2-iodo-4-methyl-, with the CAS registry number 452-82-4, is also known as 3-Iodo-4-fluorotoluene. It belongs to the product categories of Fluoro-contained Iodo series; Halogen toluene; Fluorine Compounds; Iodine Compounds; Aryl; C7; Halogenated Hydrocarbons. This chemical's molecular formula is C7H6FI and formula weight is 236.03. What's more, its IUPAC name is 1-Fluoro-2-iodo-4-methylbenzene.
Physical properties of Benzene,1-fluoro-2-iodo-4-methyl- are: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)Index of Refraction: 1.58; (4)Molar Refractivity: 43.97 cm3; (5)Molar Volume: 131.9 cm3; (6)Surface Tension: 37.9 dyne/cm; (7)Density: 1.788 g/cm3; (8)Flash Point: 85.3 °C; (9)Enthalpy of Vaporization: 43.02 kJ/mol; (10)Boiling Point: 212.2 °C at 760 mmHg; (11)Vapour Pressure: 0.256 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed and is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. 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: Fc1ccc(cc1I)C
(2)InChI: InChI=1S/C7H6FI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
(3)InChIKey: XJWZEEGCMBQBNG-UHFFFAOYSA-N