1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS
1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
CAS: 140681-55-6
Molecular Formula: C7H14B2ClF9N2
1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS - Names and Identifiers
| Name | 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) |
| Synonyms | f-teda-bf_4 SELECTFLUOR(R) REAGENT SELECTFLUOR F-TEDA-BF4 selectfluor fluorinating reagent SELECTFLUOR(TM) FLUORINATING REAGENT SELECTFLUOR FLUORINATING REAGENT (Selectfluor) 1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS N-FLUORO-N'-(CHLOROMETHYL)TRIETHYLENEDIAMINE BIS(TETRAFLUOROBORATE) N-CHLOROMETHYL-N'-FLUOROTRIETHYLENEDIAMMONIUM BIS (TETRAFLUOROBORATE) 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) 1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) |
| CAS | 140681-55-6 |
| EINECS | 414-380-4 |
| InChI | InChI=1/C7H14ClFN2.CHF3O3S/c8-7-10-1-4-11(9,5-2-10)6-3-10;2-1(3,4)8(5,6)7/h1-7H2;(H,5,6,7)/q+2;/p-1 |
| InChIKey | ZQGDSZPGKPJABN-UHFFFAOYSA-N |
1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS - Physico-chemical Properties
| Molecular Formula | C7H14B2ClF9N2 |
| Molar Mass | 354.26 |
| Melting Point | 260°C(lit.) |
| Water Solubility | soluble |
| Appearance | White powder |
| Color | White |
| Merck | 14,8425 |
| BRN | 5368649 |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| MDL | MFCD00142607 |
| Physical and Chemical Properties | Organic fluoride has been widely used in industry and public life due to its non-toxic, non-corrosive, chemical stability and other advantages. Fluorine is the most electronegative element. The carbon-fluorine single bond is stronger than the single bond formed by the combination of carbon and other element atoms, so the bond length is shorter and the C -F bond is difficult to break. At the same time, because the radius of fluorine atom is the smallest, it can tightly wrap the carbon chain skeleton, which plays a good shielding and protection role, making it not easy to be attacked by other atoms and undergo chemical reactions. The stability of organic fluorides increases with the increase in the number of fluorine atoms connected to the same carbon atom. Because of this, it is difficult to synthesize the organic fluoride that people need. Chemists have done a lot of work on this. Studies have found that fluoromethane compounds are a very useful class of selective fluorination reagents. |
1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S21 - When using do not smoke. |
| UN IDs | UN 3088 4.2/PG 2 |
| WGK Germany | 2 |
| TSCA | T |
| HS Code | 29335990 |
| Hazard Note | Oxidising Agent |
| Hazard Class | 8 |
| Packing Group | II |
| Toxicity | LD50 in male rats: 640 mg/kg orally; >2 g/kg dermally (Banks, 1998) |
1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS - Reference Information
| overview | natural selective fluorinating agents are ideal "probes" for physiological systems in many ways ". Due to the presence of trifluoromethyl in the molecule, the lipophilicity of the molecule is increased and the transmission of fluorinated molecules in the physiological system is improved. The effect of fluoride is considered to inhibit, alternate and strengthen normal physiological processes. The vast majority of fluorinating agents generally have high toxicity and high activity. A lot of work in the field of organic fluorine chemistry often needs to be carried out in laboratories with special conditions. |
| use | 1-chloromethyl-4-fluoro-1, 4-diazabicyclo [2.2.2] octane di (tetrafluoroborate) salt is an electrophilic fluorination reagent used for the green fluorination of acetoacetamide in PEG-400. It can be used as an efficient and universal electrophilic fluorine source. As a fluorination reagent that affects the oxidation of 2, 5-diarylfuran ring-opening to cis-1, 4-endione. For the direct fluorination reaction of silicene ketene acetal, α-fluorine-α-aryl carboxylic acid is formed. Used as an electrophilic fluorination reagent, for example, in the preparation of fluorinated acyl silanes. |
| physical and chemical properties | organic fluoride has been widely used in industry and public life due to its advantages of non-toxicity, non-corrosion and chemical stability. Fluorine is the most electronegative element. The carbon-fluorine single bond is stronger than the single bond formed by the combination of carbon and other element atoms, so the bond length is shorter and the C -F bond is difficult to break. At the same time, because the radius of fluorine atom is the smallest, it can tightly wrap the carbon chain skeleton, which plays a good shielding and protection role, making it not easy to be attacked by other atoms and undergo chemical reactions. The stability of organic fluorides increases with the increase in the number of fluorine atoms connected to the same carbon atom. Because of this, it is difficult to synthesize the organic fluoride that people need. Chemists have done a lot of work on this. Studies have found that fluoromethane compounds are a very useful class of selective fluorination reagents. |
| selective fluorine reagent | 1-chloromethyl-4-fluoro-1, 4-diazabicyclo [2.2.2] octane di (tetrafluoroborate) salt is a selective fluorine reagent, white crystal at room temperature, molecular formula is C7H14B2ClF9N2, mainly as a fluorinating agent, it can perform monofluorination reaction on electron-rich double bonds, enol silyl ether, enol lithium salt, etc., and is used to prepare fluorosteroidal drugs, etc. |
| appearance properties | white crystal. |
| main use | fluorinating agent, which can carry out monofluorination reaction on electron-rich double bond, enol silyl ether, enol lithium salt, etc., and is used to prepare fluorosteroidal drugs, etc. Selectfluor is a chemical reagent used as a fluorine donor. /td>/tr> td style = "min-width:90px"> precautions for experiment/td> td>1. wear protective glasses, protective clothing and masks, and gloves to avoid contact with skin before experiment. 2. If toxic or irritating substances and harmful substances are produced during the experiment, the experiment operation shall be completed in the glove box when necessary to avoid harm to the experiment personnel. 3. The pipette head for taking samples should be replaced in time, and the filter element tip should be selected as much as possible to avoid cross contamination if necessary. 4. When weighing drugs, use weighing paper, and take drugs and weigh them without wind to avoid spreading. The container of reagents must be clean and disinfected before use. 5. When taking medicine, try to use multiple medicine spoons respectively. After use, clean them and dry them for disinfection and storage. 6. The waste generated after the experiment should be classified and stored and handed over to a professional biological waste gas treatment company for treatment to avoid environmental pollution. |
| EPA chemical information | information provided by: ofmpub.epa.gov (external link) |
Last Update：2024-04-09 01:59:58
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