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2314-97-8

Basic Information
CAS No.: 2314-97-8
Name: Methane, trifluoroiodo-
Molecular Structure:
Molecular Structure of 2314-97-8 (Methane, trifluoroiodo-)
Formula: CF3I
Molecular Weight: 195.91
Synonyms: Freon 13I1;Iodotrifluoromethane;Monoiodotrifluoromethane;Perfluoromethyl iodide;Trifluoroiodomethane;
EINECS: 219-014-5
Density: 2.44 g/cm3
Melting Point: <?78°C(lit.)
Boiling Point: -21.111 °C at 760 mmHg
Flash Point: -26.936 °C
Solubility: Slightly soluble in water.
Appearance: colourless gas
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 68
Safety: 36/37
Transport Information: UN 1956
PSA: 0.00000
LogP: 1.94120
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    2314-97-8

    Methane, trifluoroiodo-

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    2314-97-8

    Trifluoromethyl Iodide

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  • 2314-97-8

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    2314-97-8

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  • TrifluoroiodoMethane, 97+%

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    TrifluoroiodoMethane, 97+%

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  • Trifluoroiodomethane

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    2314-97-8

    Trifluoroiodomethane

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    2314-97-8 Application:intermediate

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  • Trifluoromethyl iodide

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    2314-97-8

    Trifluoromethyl iodide

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Specification

The Trifluoromethyl iodide, with the CAS registry number 2314-97-8 and EINECS registry number 219-014-5, has the systematic name of trifluoro(iodo)methane. And the molecular formula of this chemical is CF3I. It is a kind of colourless gas, and very stable in normal condition.

The physical properties of Trifluoromethyl iodide are as following: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.93; (6)ACD/BCF (pH 7.4): 29.93; (7)ACD/KOC (pH 5.5): 396.47; (8)ACD/KOC (pH 7.4): 396.47; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 20.1 cm3; (15)Molar Volume: 80.2 cm3; (16)Polarizability: 7.97×10-24cm3; (17)Surface Tension: 19.9 dyne/cm; (18)Density: 2.44 g/cm3; (19)Enthalpy of Vaporization: 22.18 kJ/mol; (20)Boiling Point: °C at 760 mmHg; (21)Vapour Pressure: 3650 mmHg at 25°C.

Preparation and uses of Trifluoromethyl iodide: It can be prepared by heating the silver salt of trifluoroacetic acid (TFA) and iodine. And it is a important reagent to take the triflouro to the molecule. It can react with organometallic compounds and ethylenic linkage compounds.

You should be cautious while dealing with this chemical. It may cause irreversible effects. Therefore, you had betterwear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)I
(2)InChI: InChI=1/CF3I/c2-1(3,4)5
(3)InChIKey: VPAYJEUHKVESSD-UHFFFAOYAR

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 1pph/4H (10000ppm)   Fundamental and Applied Toxicology. Vol. 35, Pg. 64, 1997.