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) Structure](CAS/GIF/140681-55-6.gif)
- CAS No.
- 140681-55-6
- Chemical Name:
- 1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
- Synonyms
- Selectfluor;Selectfluoro;1-(chloroMethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diiuM;selectfluor fluorinating reagent;1-(ChloroMethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diiuM tetrafluoroborate;selectfluor fluorinating;SELECTFLUOR I;1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate;Selecetfluor;fluorinating reagent
- CBNumber:
- CB1254109
- Molecular Formula:
- C7H14B2ClF9N2
- Molecular Weight:
- 354.26
- MOL File:
- 140681-55-6.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/3/7 16:58:36
Melting point | 260 °C(lit.) |
---|---|
Density | 1.71 at 20℃ |
vapor pressure | 0.001Pa at 25℃ |
storage temp. | 2-8°C |
solubility | Acetonitrile (Slightly), DMSO (Slightly), Methanol (Very Slightly, Heated), Water |
form | Powder |
color | White |
Water Solubility | soluble |
Sensitive | Moisture Sensitive |
Merck | 14,8425 |
BRN | 5368649 |
InChIKey | ZQGDSZPGKPJABN-UHFFFAOYSA-N |
LogP | -3.39 at 20℃ |
Surface tension | 73.1mN/m at 1g/L and 19℃ |
CAS DataBase Reference | 140681-55-6(CAS DataBase Reference) |
EPA Substance Registry System | 1,4-Diazoniabicyclo[2.2.2]octane, 1-(chloromethyl)-4-fluoro-, bis[tetrafluoroborate(1-)] (140681-55-6) |
SAFETY
Risk and Safety Statements
Symbol(GHS) | ![]() ![]() GHS05,GHS07 |
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Signal word | Danger | |||||||||
Hazard statements | H302-H317-H318-H412 | |||||||||
Precautionary statements | P261-P273-P280-P301+P312-P302+P352-P305+P351+P338 | |||||||||
Hazard Codes | Xn,O,F,Xi | |||||||||
Risk Statements | 22-36/37/38-41-52/53-43 | |||||||||
Safety Statements | 26-36/37/39-61-21 | |||||||||
RIDADR | UN 3088 4.2/PG 2 | |||||||||
WGK Germany | 2 | |||||||||
Hazard Note | Oxidising Agent | |||||||||
TSCA | T | |||||||||
HazardClass | 8 | |||||||||
PackingGroup | II | |||||||||
HS Code | 29335990 | |||||||||
Toxicity | LD50 in male rats: 640 mg/kg orally; >2 g/kg dermally (Banks, 1998) | |||||||||
NFPA 704 |
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1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) price More Price(9)
Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
---|---|---|---|---|---|---|---|
Sigma-Aldrich(India) | 439479 | 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) >95% in F+ active | 140681-55-6 | 5G | ₹4384.13 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 439479 | 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) >95% in F+ active | 140681-55-6 | 25G | ₹17027.73 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 439479 | 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) >95% in F+ active | 140681-55-6 | 100G | ₹45248.5 | 2022-06-14 | Buy |
ALFA India | ALF-L17003-22 | 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 98+% | 140681-55-6 | 1ea | ₹18270 | 2022-05-26 | Buy |
ALFA India | ALF-L17003-14 | 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 98+% | 140681-55-6 | 25g | ₹15047 | 2022-05-26 | Buy |
1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) Chemical Properties,Uses,Production
Description
1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)(Selectfluor) is a white solid (mp 190 °C), stable in air and to moisture. It is a dicationic salt soluble in cold water or dilute hydrochloric acid. However, it decomposes in dilute sodium hydroxide and reacts with cold DMSO (rapidly and exothermally) and with DMF (slowly on heating). It is moderately soluble in acetonitrile but only slightly soluble in lower alcohols and acetone, which makes the former the solvent of choice. Occasionally, reactions in these solvents were accelerated by adding a small amount of water or trifluoroacetic acid. Bulk quantities of Selectfluor should be stored in a cool, dry place and not heated above 80 °C. Fainzil’berg et al. have measured the reduction potentials of Selectfluor and other N-F compounds. With a positive reduction potential, E1/2 ) 0.33 V, Selectfluor is predicted to be a more reactive fluorinating reagent than, e.g., N-fluorobenzenesulfonimide, with E1/2 ) -1.24 V[1].
Chemical Properties
White powder
General Description
This product is a fluorine donor also called Selectfluor and has been enhanced for catalysis.
Toxicology
1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (F-TEDA-BF4) is moderately toxic (male rat oral LD50 640 mg kg?1; female rat 350–500 mg kg?1), and is an irritant to the eye and respiratory system. Always use approved dust mask (or respirator), gloves, and safety glasses when handling the solid. Carry out solubility tests on a sensible scale when seeking alternative solvents (note the problem with DMSO referred to above).
Advantages
As the advantages of non-toxicity, non-corrosion and chemical stability, 1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) have been widely used in industry and public life.
References
[1] Rajendra P. Singh, Jean’ne M. Shreeve. “Recent Highlights in Electrophilic Fluorination with 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate).” ChemInform 35 16 (2004).
1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) Preparation Products And Raw materials
Supplier | Tel | Country | ProdList | Advantage | Inquiry |
---|---|---|---|---|---|
TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
VASIN BIO LIFE SCIENCES PVT LTD | 9491644688 | Hyderabad, India | 2096 | 58 | Inquiry |
Siddhi Specialities | 91-0-9742033800 | Bangalore, India | 162 | 58 | Inquiry |
ALTAIR ALCHEMY Laboratories | 91--9014276848 | Hyderabad, India | 324 | 58 | Inquiry |
HiMedia Laboratories | 91-22-61471919 | Maharashtra, India | 1843 | 58 | Inquiry |
Shaanxi Didu New Materials Co. Ltd | +86-89586680 +86-13289823923 | China | 9003 | 58 | Inquiry |
Shandong Juchuang Chemical Co., LTD | +undefined15030412209 | China | 387 | 58 | Inquiry |
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