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1-Fluoro-3-iodo-5-methylbenzene

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Name

1-Fluoro-3-iodo-5-methylbenzene

EINECS N/A
CAS No. 491862-84-1 Density 1.788 g/cm3
PSA 0.00000 LogP 2.73870
Solubility N/A Melting Point N/A
Formula C7H6FI Boiling Point 207.4 °C at 760 mmHg
Molecular Weight 236.028 Flash Point 82.5 °C
Transport Information UN 2810 6.1/PG 3 Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 491862-84-1 (3-FLUORO-5-IODOTOLUENE) Hazard Symbols IrritantXi,ToxicT
Synonyms

3-Fluoro-5-methyliodobenzene;5-Fluoro-3-iodotoluene;3-Fluoro-5-iodotoluene;

 

1-Fluoro-3-iodo-5-methylbenzene 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 

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