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| CAS No.: | 354-64-3 |
|---|---|
| Name: | Iodopentafluoroethane |
| Molecular Structure: | |
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| Formula: | C2F5I |
| Molecular Weight: | 245.919 |
| Synonyms: | Ethane,pentafluoroiodo- (6CI,7CI,8CI,9CI);1,1,1,2,2-Pentafluoro-2-iodoethane;1,1,2,2,2-Pentafluoroethyl iodide;1-Iodo-1,1,2,2,2-pentafluoroethane;1-Iodoperfluoroethane;Iodopentafluoroethane;Iodoperfluoroethane;Pentafluoro-1-iodoethane;Pentafluoroiodoethane;Perfluoroethyl iodide;Perfluoroiodoethane; |
| EINECS: | 206-566-7 |
| Density: | 2.283 g/cm3 |
| Melting Point: | -92ºC |
| Boiling Point: | 10.3 °C at 760 mmHg |
| Flash Point: | None |
| Appearance: | colourless liquid or gas |
| Hazard Symbols: |
 T;  Xi
|
| Risk Codes: | 36/37/38-44 |
| Safety: | 7-26-37/39-38 |
| Transport Information: | UN 1956 2.2 |
| PSA: | 0.00000 |
| LogP: | 2.57650 |
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Specification
The Ethane,1,1,1,2,2-pentafluoro-2-iodo-, with CAS registry number 354-64-3, belongs to the following product category: Organic Fluorides. It has the systematic name of 1,1,1,2,2-pentafluoro-2-iodoethane. This chemical is a kind of colourless liquid or gas. And it should be stored at the temperature of 0-6°C.
Physical properties of Ethane,1,1,1,2,2-pentafluoro-2-iodo-: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 162.96; (6)ACD/BCF (pH 7.4): 162.96; (7)ACD/KOC (pH 5.5): 1333.58; (8)ACD/KOC (pH 7.4): 1333.58; (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: 1.381; (14)Molar Refractivity: 25.03 cm3; (15)Molar Volume: 107.7 cm3; (16)Polarizability: 9.92×10-24cm3; (17)Surface Tension: 18.5 dyne/cm; (18)Enthalpy of Vaporization: 24.76 kJ/mol; (19)Vapour Pressure: 1270 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce 1-methyl-2-pentafluoroethyl-pyrrole. This reaction will need reagents Zn, Na2S2O5, SO2, 2-methylpyridine and solvent dimethylformamide. The reaction time is 3 hour(s) with reaction temperature of 65 ℃. The yield is about 30%.
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When you are using this chemical, please be cautious about it as the following:
The Ethane,1,1,1,2,2-pentafluoro-2-iodo- irritates to eyes, respiratory system and skin. And it has risk of explosion if heated under confinement, so keep its container tightly closed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)(F)I
(2)InChI: InChI=1/C2F5I/c3-1(4,5)2(6,7)8
(3)InChIKey: UXPOJVLZTPGWFX-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C2F5I/c3-1(4,5)2(6,7)8
(5)Std. InChIKey: UXPOJVLZTPGWFX-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC | inhalation | > 40000ppm/4H (40000ppm) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | National Technical Information Service. Vol. OTS0556370, |