N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate) , 95% , 140681-55-6

Synonym(s):
N-Chloromethyl-N′-fluorotriethylenediammonium bis(tetrafluoroborate);F-TEDA

CAS NO.：140681-55-6

Empirical Formula: C7H14B2ClF9N2

Molecular Weight: 354.26

MDL number: MFCD00142607

EINECS: 414-380-4

PRODUCT 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)

Description and Uses

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].

Effective electrophilic fluorinating reagent for a wide variety of substrates such as aromatics, alkenes, carbohydrates, etc.

Safety

• 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)