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CAS No.: | 40723-80-6 |
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Name: | 1,1,1,2,2-Pentafluoro-4-Iodobutane |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C4H4F5I |
Molecular Weight: | 273.972 |
Synonyms: | 1,1,1,2,2-Pentafluoro-4-iodobutane;1,1,2,2-Tetrahydroperfluorobutyl iodide;1-Iodo-3,3,4,4,4-pentafluorobutane;2-(Perfluoroethyl)ethyl iodide;3,3,4,4,4-Pentafluorobutyl iodide;4-Iodo-1,1,1,2,2-pentafluorobutane;Perfluoroethylethyl iodide; |
EINECS: | 255-055-5 |
Density: | 1.946 g/cm3 |
Boiling Point: | 107.6 °C at 760 mmHg |
Flash Point: | 35.1 °C |
Hazard Symbols: | T |
Risk Codes: | 25-36 |
Safety: | 26-45 |
PSA: | 0.00000 |
LogP: | 3.00910 |
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The 1,1,1,2,2-Pentafluoro-4-Iodobutane is an organic compound with the formula C4H4F5I. The IUPAC name of this chemical is 1,1,1,2,2-pentafluoro-4-iodobutane. With the CAS registry number 40723-80-6, it is also named as 1-Iodo-3,3,4,4,4-pentafluorobutane.
Physical properties about 1,1,1,2,2-Pentafluoro-4-Iodobutane are: (1)ACD/LogP: 3.13; (2)ACD/LogD (pH 5.5): 3.13; (3)ACD/LogD (pH 7.4): 3.13; (4)ACD/BCF (pH 5.5): 141.42; (5)ACD/BCF (pH 7.4): 141.42; (6)ACD/KOC (pH 5.5): 1204.9; (7)ACD/KOC (pH 7.4): 1204.9; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.402; (10)Molar Refractivity: 34.29 cm3; (11)Molar Volume: 140.7 cm3; (12)Polarizability: 13.59×10-24cm3; (13)Surface Tension: 21.4 dyne/cm; (14)Density: 1.946 g/cm3; (15)Flash Point: 35.1 °C; (16)Enthalpy of Vaporization: 33.21 kJ/mol; (17)Boiling Point: 107.6 °C at 760 mmHg; (18)Vapour Pressure: 31.4 mmHg at 25°C.
Uses of 1,1,1,2,2-Pentafluoro-4-Iodobutane: it can be used to produce F-ethyl-2 ethanethiol at temperature of 80 °C. It will need reagent thiouree and solvent ethanol. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)(F)CCI
(2)InChI: InChI=1/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2
(3)InChIKey: PPXVPFPTMXFUDE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2
(5)Std. InChIKey: PPXVPFPTMXFUDE-UHFFFAOYSA-N