1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene
iodotrifluoromethane
CAS: 2314-97-8
Molecular Formula: CF3I
1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene - Names and Identifiers
| Name | iodotrifluoromethane |
| Synonyms | CF3I CIF3 FIC-1311 Freon13I1 freon13t1 iodotrifluoromethane Trifluoroiodomethane Trifluoromethyliodide Trifluoromethyl iodide Methane,trifluoroiodo- PERFLUOROMETHYL IODIDE iodotrifluoromethane(trifluoromethyliodide) 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene |
| CAS | 2314-97-8 |
| EINECS | 219-014-5 |
| InChI | InChI=1/C8H3ClF3NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H |
1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene - Physico-chemical Properties
| Molecular Formula | CF3I |
| Molar Mass | 195.91 |
| Density | 2.361 |
| Melting Point | <−78°C(lit.) |
| Boling Point | −22.5°C(lit.) |
| Flash Point | -22.5°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 540.5kPa at 25℃ |
| Appearance | Gas |
| BRN | 1732740 |
| Stability | Stable. Substances to be avoided include strong oxidizing agents. Avoid direct sunlight. Risk of explosion if heated under confinement. Flammable. |
| Sensitive | Light Sensitive |
| Refractive Index | 1.379 |
1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene - Risk and Safety
| Risk Codes | 68 - Possible risk of irreversible effects |
| Safety Description | 36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 1956 2.2 |
| WGK Germany | 1 |
| RTECS | PB6975000 |
| FLUKA BRAND F CODES | 27 |
| TSCA | T |
| Hazard Note | Irritant |
| Hazard Class | 2.2 |
1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| properties | trifluoroiodomethane (CF3I), boiling point -22.5 ℃, critical pressure 3.95MPa, colorless and odorless gas under standard atmospheric pressure. |
| use | CF3I as a fire extinguishing agent has the characteristics of high fire extinguishing efficiency, good safety performance, high economic utility, no trace after fire extinguishing, etc. It is a preferred alternative to trifluoromethane (halon 1301); as a refrigerant, CF3I is non-combustible and has the characteristics of good oil solubility and material compatibility, it is considered to be one of the ideal substitutes for traditional Freon refrigerant elements. In addition, CF3I has broad application prospects in other fields such as fluorine-containing intermediates, semiconductor etching, foaming agents, etc. trifluoroiodomethane gas is widely used in the cleaning of precision instruments, especially for the cleaning of large and complex precision instruments. Used as a fire extinguishing agent, refrigerant, foaming agent, and also an important fluorine-containing intermediate and semiconductor etching Used for α,-unsaturated ketone rhodium catalyzed α-trifluoromethylation reaction reagent. |
| effect | trifluoroiodomethane gas has good dissolution effect on various oil stains after liquefaction. as a cleaning agent for precision instruments, it thoroughly cleans oil stains without adding surfactants or other additives. the cleaning process is a pure physical process. the cleaning gas and oil stains are easy to separate. the separated gas is recycled without secondary pollution. |
| application | pharmaceutical grade trifluoroiodomethane is widely used in the preparation of anticancer drugs (ABT263,ABT737), superhydrophobic self-cleaning materials, liquid crystal materials, etc. |
| industrial production method | S1, preparation of aluminate ionic liquid: add 1mol of quaternary ammonium salt tetramethylammonium chloride and 5mol of N-methylimidazole hydrochloride to methanol, stir and dissolve, heat to 50 ℃, add 6.5 mol of aluminum chloride, stir and dissolve, continue to react for 2 hours, raise the temperature by 80 ℃, and evaporate the solvent, filter to remove insoluble substances, that is, quaternary ammonium salt and N-alkyl imidazole salt composite aluminate ionic liquid. preparation of S2 and trifluoroiodomethane add 1kg of aluminate ionic liquid prepared in step S1 in a reaction kettle equipped with a reflux device, then add 114g of trifluoroacetic acid to raise the temperature to 80 ℃, slowly add 2.5mol of iodine ethanol solution dropwise within 5 hours, after the dropwise addition, continue to heat to 100 ℃ for reaction for 8 hours to prepare trifluoroiodomethane solution, and the reaction liquid is left to layer, the aluminate ionic liquid layer and the crude product of trifluoroiodomethane were separated. The crude product of trifluoroiodomethane was purified by rectification to obtain 190g of trifluoroiodomethane with HPLC purity of 98.2%. |
Last Update：2024-04-10 22:29:15
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View History
1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene
2,3,4-三羥二苯基酮
2-Piperazineacetamide,5-methyl-3,6-dioxo-(9CI)
Ethylene glycol monopropyl ether
N-Tosylcarbamic acid phenethyl ester
2-chloro-3-Methoxy-
143612-02-6
2,5-Dihydroxy-2,4,6-cyclohepta-triene-1-one
1258622-69-3
TRANS-2-UNDECENAL
2,3,4-三羥二苯基酮
2-Piperazineacetamide,5-methyl-3,6-dioxo-(9CI)
Ethylene glycol monopropyl ether
N-Tosylcarbamic acid phenethyl ester
2-chloro-3-Methoxy-
143612-02-6
2,5-Dihydroxy-2,4,6-cyclohepta-triene-1-one
1258622-69-3
TRANS-2-UNDECENAL