Name: 1,1,1,2,2-Pentafluoro-4-Iodobutane
SKU: 40723-80-6

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Basic Information

Molecular Structure:
CAS No.:	40723-80-6
Name:	1,1,1,2,2-Pentafluoro-4-Iodobutane
Article Data:	5

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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Specification

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