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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 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

1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) Properties

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
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
0
2 0

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
Product number Packaging Price Buy
439479 5G ₹4384.13 Buy
439479 25G ₹17027.73 Buy
439479 100G ₹45248.5 Buy
ALF-L17003-22 1ea ₹18270 Buy
ALF-L17003-14 25g ₹15047 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

Raw materials

Preparation Products

Global( 381)Suppliers
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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