Product Name

  • Name

    4-FLUORO-3-IODOTOLUENE

  • EINECS
  • CAS No. 452-82-4
  • Density 1.788 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H6FI
  • Boiling Point 212.2 °C at 760 mmHg
  • Molecular Weight 236.028
  • Flash Point 85.3 °C
  • Transport Information UN 1992
  • Appearance colorless to light yellow liquid
  • Safety 26-45
  • Risk Codes 25-52/53
  • Molecular Structure Molecular Structure of 452-82-4 (4-FLUORO-3-IODOTOLUENE)
  • Hazard Symbols ToxicT,IrritantXi
  • 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;
  • PSA 0.00000
  • LogP 2.73870

4-Fluoro-3-iodotoluene Specification

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

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