1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate

Basic Information

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CAS Number

140681-55-6

Molecular Formula

C7H14B2ClF9N2

Molecular Weight

354.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Melting Point

260 ºC

SMILES

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[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F

InChI

InChI=1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)5/h1-7H2;;/q+2;2*-1

InChIKey

TXRPHPUGYLSHCX-UHFFFAOYSA-N

LogP

3.24560

Complexity

168

Safety Information

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GHS Hazard Pictograms

H302

H317

H318

H412

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 4.2 Class 4.2

Sensitiveness

Moisture Sensitive

Toxicity

LD50 in male rats: 640 mg/kg orally; >2 g/kg dermally (Banks, 1998)

Synonyms & References

English

4-(chloromethyl)-1-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium; bis(tetrafluoroboranuide)
TXRPHPUGYLSHCX-UHFFFAOYSA-N
SELECTFLUOR I
N-Fluoro-N'-(chloromethyl)triethylenediamine bis(tetrafluoroborate
1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(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)
1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(tetrafluoroborate)
1-(Chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate
1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
1-(chloromethyl)4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
1,4-Diazoniabicyclo(2.2.2)octane, 1-(chloromethyl)-4-fluoro-, bis(tetrafluoroborate(1-))
1-chloromethyl-4-fluoro-1,4-diazonia-bicyclo[2.2.2]octane 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), purum, >=97.0% (NMR)
F-TEDA
1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate)
1-( chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
J-503538
EN300-98145
F0001-0486
1-chloromethyl-4-fluoro-1,4-diazoniabicyclo [2.2.2]octane bis(tetrafluoroborate)
1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate
GS-3626
F0358
N-Chloromethyl-N'-fluorotriethylenediammonium bis(tetrafluoroborate)
Selectflour
140681-55-6
1-(chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(tetrafluoroborate)
Q2649515

MDL Number

MFCD00142607

Customs Code

2933990090

FAQ

What is 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate (CAS: 140681-55-6)?

1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate is a quaternary ammonium compound with a unique structure containing a chloromethyl group and a fluoro group. It is commonly known as a phosphonium salt and is used as a reagent in organic synthesis. The compound has a molecular formula of C4H8ClF3N2BF4 and exhibits stability under normal conditions.

What are the main uses of 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate (CAS: 140681-55-6)?

This compound is primarily used in pharmaceutical research for the synthesis of bioactive molecules and drug intermediates. It also finds applications in organic chemistry as a versatile electrophilic reagent. Additionally, it is utilized in the development of materials and as a component in specialized chemical processes due to its reactivity and functional group versatility.

Is 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate (CAS: 140681-55-6) safe?

The safety of this compound depends on proper handling. It is generally considered safe when used in controlled laboratory settings, but it may have toxic effects if inhaled or ingested. Protective measures such as gloves, goggles, and a fume hood are recommended. Always follow safety guidelines and storage recommendations to ensure safe usage.

How should 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate (CAS: 140681-55-6) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from moisture and direct light. It is best kept in a sealed container at a temperature below 25°C. Avoid exposure to incompatible substances and ensure proper labeling to maintain stability and safety.