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423-39-2

Basic Information
CAS No.: 423-39-2
Name: Perfluorobutyl iodide
Article Data: 22
Molecular Structure:
Molecular Structure of 423-39-2 (Perfluorobutyl iodide)
Formula: C4F9I
Molecular Weight: 345.934
Synonyms: Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-;1,1,1,2,2,3,3,4,4-Nonafluoro-4-iodobutane;1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-butane;
EINECS: 207-025-8
Density: 2.127 g/cm3
Melting Point: -88 °C
Boiling Point: 67.4 °C at 760 mmHg
Flash Point: 18.7 °C
Solubility: immiscible
Appearance: clear colourless liquid with pungent odour
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 0.00000
LogP: 3.84710
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  • Casno:

    423-39-2

    1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane CAS 423-39-2

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    Name: 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane CAS: 423-39-2 Molecular Formula: C4F9I Molecular Weight: 345.933 Application:Fine chemical

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  • Nonafluoro-1-iodobutane

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    423-39-2

    Nonafluoro-1-iodobutane

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  • Perfluorobutyl Iodide

  • Casno:

    423-39-2

    Perfluorobutyl Iodide

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  • perfluorobutyl iodide

  • Casno:

    423-39-2

    perfluorobutyl iodide

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    perfluorobutyl iodide Application:perfluorobutyl iodide

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  • Perfluorobutyl iodide CAS No.423-39-2

  • Casno:

    423-39-2

    Perfluorobutyl iodide CAS No.423-39-2

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  • Perfluorobutyl iodide

  • Casno:

    423-39-2

    Perfluorobutyl iodide

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  • Perfluorobutyl iodide

  • Casno:

    423-39-2

    Perfluorobutyl iodide

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Specification

The Perfluorobutyl iodide, with the CAS registry number 423-39-2 and EINECS registry number 207-025-8, has the systematic name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane. It is a kind of clear colourless liquid with pungent odour, and should be stored at 0-6°C. The chemical belongs to the following product categories: Organic Fluorides; Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry. And the molecular formula of the chemical is C4F9I.

The characteristics of this chemical are as followings: (1)ACD/LogP: 5.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.58; (4)ACD/LogD (pH 7.4): 5.58; (5)ACD/BCF (pH 5.5): 10321.32; (6)ACD/BCF (pH 7.4): 10321.32; (7)ACD/KOC (pH 5.5): 25978.91; (8)ACD/KOC (pH 7.4): 25978.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.348; (14)Molar Refractivity: 34.88 cm3; (15)Molar Volume: 162.6 cm3; (16)Polarizability: 13.83×10-24cm3; (17)Surface Tension: 17.2 dyne/cm; (18)Density: 2.127 g/cm3; (19)Flash Point: 18.7 °C; (20)Enthalpy of Vaporization: 29.64 kJ/mol; (21)Boiling Point: 67.4 °C at 760 mmHg; (22)Vapour Pressure: 158 mmHg at 25°C.

Uses of Perfluorobutyl iodide: It can react with pyrrole-2-carbaldehyde to produce 5-Nonafluorobutyl-2-formylpyrrole. This reaction will need reagent 35% H2O2 and FeSO4.7H2O , and the menstruum dimethylsulfoxide. The reaction time is 30 minutes with Ambient temperature, and the yield is about 55%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)I)C(F)(F)F
(2)InChI: InChI=1/C4F9I/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
(3)InChIKey: PGRFXXCKHGIFSV-UHFFFAOYAV